1-[(E)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(3Z)-3-[5-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-3H-1,3-oxazol-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-[[(3Z)-3-[5-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-3H-1,3-oxazol-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-[[(3Z)-2-(dihydroxymethylene)-3-[5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-oxazol-2-ylidene]-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-[[(3Z)-2-(dihydroxymethylidene)-3-[5-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-3H-oxazol-2-ylidene]-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-[[(3Z)-2-(dihydroxymethylidene)-3-[5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3-oxazol-2-ylidene]-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-[[(3Z)-2-(dihydroxymethylene)-3-[5-(3,4-diketocyclohexa-1,5-dien-1-yl)-4-oxazolin-2-ylidene]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]octan-7-yl]amino]-2-keto-ethylidene]amino]oxycyclopropanecarboxylic acid Formula: C26H20N6O10S3 MolecularWeight: 672.6662

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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(O5)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(O5)C6=CC(=O)C(=O)C=C6)/CS4)C=S

InChI

InChI=1S/C26H20N6O10S3/c27-24-29-12(8-45-24)16(31-42-25(3-4-25)23(39)40)18(35)30-26(9-43)21(38)32-17(20(36)37)11(7-44-22(26)32)19-28-6-15(41-19)10-1-2-13(33)14(34)5-10/h1-2,5-6,8-9,22,28,36-37H,3-4,7H2,(H2,27,29)(H,30,35)(H,39,40)/b19-11+,31-16+