1-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(3E)-3-[4-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-5-(carboxymethyl)-3H-1,3-thiazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxycyclopropane-1-carboxylic acid

Systemtic Name: 1-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(3E)-3-[4-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-5-(carboxymethyl)-3H-1,3-thiazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxidanylidene-ethylidene]amino]oxycyclopropane-1-carboxylic acid Openeye Name: 1-[(E)-[1-(2-aminothiazol-4-yl)-2-[[(3E)-3-[5-(carboxymethyl)-4-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-thiazol-2-ylidene]-2-(dihydroxymethylene)-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxo-ethylidene]amino]oxycyclopropanecarboxylic acid CAS Name: 1-[(E)-[1-(2-amino-4-thiazolyl)-2-[[(3E)-3-[5-(carboxymethyl)-4-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-3H-thiazol-2-ylidene]-2-(dihydroxymethylidene)-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxoethylidene]amino]oxy-1-cyclopropanecarboxylic acid IUPAC Name: 1-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3E)-3-[5-(carboxymethyl)-4-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3-thiazol-2-ylidene]-2-(dihydroxymethylidene)-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid Traditional Name: 1-[(E)-[1-(2-aminothiazol-4-yl)-2-[[(3E)-3-[5-(carboxymethyl)-4-(3,4-diketocyclohexa-1,5-dien-1-yl)-4-thiazolin-2-ylidene]-2-(dihydroxymethylene)-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-keto-ethylidene]amino]oxycyclopropanecarboxylic acid Formula: C28H22N6O11S4 MolecularWeight: 746.76788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)O)ON=C(C2=CSC(=N2)N)C(=O)NC3(C4N(C3=O)C(=C(O)O)C(=C5NC(=C(S5)CC(=O)O)C6=CC(=O)C(=O)C=C6)CS4)C=S

Isomeric SMILES

C1CC1(C(=O)O)O/N=C(\C2=CSC(=N2)N)/C(=O)NC3(C4N(C3=O)C(=C(O)O)/C(=C\5/NC(=C(S5)CC(=O)O)C6=CC(=O)C(=O)C=C6)/CS4)C=S

InChI

InChI=1S/C28H22N6O11S4/c29-26-30-12(8-48-26)18(33-45-27(3-4-27)25(43)44)20(39)32-28(9-46)23(42)34-19(22(40)41)11(7-47-24(28)34)21-31-17(15(49-21)6-16(37)38)10-1-2-13(35)14(36)5-10/h1-2,5,8-9,24,31,40-41H,3-4,6-7H2,(H2,29,30)(H,32,39)(H,37,38)(H,43,44)/b21-11-,33-18+