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

Systemtic Name: (2Z)-3-[[(3E)-4-(2-azanyl-1,3-thiazol-4-yl)-3-[5-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-3H-1,3,4-oxadiazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-4-yl]amino]-2-methoxyimino-3-oxidanylidene-propanoic acid Openeye Name: (2Z)-3-[[(3E)-4-(2-aminothiazol-4-yl)-2-(dihydroxymethylene)-3-[5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3,4-oxadiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-4-yl]amino]-2-methoxyimino-3-oxo-propanoic acid CAS Name: (2Z)-3-[[(3E)-4-(2-amino-4-thiazolyl)-2-(dihydroxymethylidene)-3-[5-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-3H-1,3,4-oxadiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-4-yl]amino]-2-methoxyimino-3-oxopropanoic acid IUPAC Name: (2Z)-3-[[(3E)-4-(2-amino-1,3-thiazol-4-yl)-2-(dihydroxymethylidene)-3-[5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3,4-oxadiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-4-yl]amino]-2-methoxyimino-3-oxopropanoic acid Traditional Name: (2Z)-3-[[(3E)-4-(2-aminothiazol-4-yl)-2-(dihydroxymethylene)-3-[5-(3,4-diketocyclohexa-1,5-dien-1-yl)-3H-1,3,4-oxadiazol-2-ylidene]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]octan-4-yl]amino]-3-keto-2-methyloximino-propionic acid Formula: C23H17N7O10S3 MolecularWeight: 647.61698

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C(=O)NC1(C(=C2NN=C(O2)C3=CC(=O)C(=O)C=C3)C(=C(O)O)N4C(S1)C(C4=O)C=S)C5=CSC(=N5)N)C(=O)O

Isomeric SMILES

CO/N=C(/C(=O)NC1(/C(=C/2\NN=C(O2)C3=CC(=O)C(=O)C=C3)/C(=C(O)O)N4C(S1)C(C4=O)C=S)C5=CSC(=N5)N)\C(=O)O

InChI

InChI=1S/C23H17N7O10S3/c1-39-29-13(20(35)36)15(33)26-23(11-6-42-22(24)25-11)12(14(21(37)38)30-18(34)8(5-41)19(30)43-23)17-28-27-16(40-17)7-2-3-9(31)10(32)4-7/h2-6,8,19,28,37-38H,1H3,(H2,24,25)(H,26,33)(H,35,36)/b17-12+,29-13-