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

Systemtic Name: (2Z)-2-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-3-ylidene]-5-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-3H-1,3-thiazole-4-carboxylic acid Openeye Name: (2Z)-2-[7-[[(2E)-2-allyloxyimino-2-(2-aminothiazol-4-yl)acetyl]amino]-2-(dihydroxymethylene)-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-3-ylidene]-5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-thiazole-4-carboxylic acid CAS Name: (2Z)-2-[7-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-2-(dihydroxymethylidene)-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-3-ylidene]-5-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-3H-thiazole-4-carboxylic acid IUPAC Name: (2Z)-2-[7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-2-(dihydroxymethylidene)-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-3-ylidene]-5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3-thiazole-4-carboxylic acid Traditional Name: (2Z)-2-[7-[[(2E)-2-allyloximino-2-(2-aminothiazol-4-yl)acetyl]amino]-2-(dihydroxymethylene)-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]octan-3-ylidene]-5-(3,4-diketocyclohexa-1,5-dien-1-yl)-4-thiazoline-4-carboxylic acid Formula: C26H20N6O9S4 MolecularWeight: 688.7318

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Descriptors Computed from Structure

Canonical SMILES:

C=CCON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(O)O)C(=C4NC(=C(S4)C5=CC(=O)C(=O)C=C5)C(=O)O)CS3)C=S

Isomeric SMILES

C=CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(O)O)/C(=C/4\NC(=C(S4)C5=CC(=O)C(=O)C=C5)C(=O)O)/CS3)C=S

InChI

InChI=1S/C26H20N6O9S4/c1-2-5-41-31-15(12-8-44-25(27)28-12)19(35)30-26(9-42)23(40)32-17(22(38)39)11(7-43-24(26)32)20-29-16(21(36)37)18(45-20)10-3-4-13(33)14(34)6-10/h2-4,6,8-9,24,29,38-39H,1,5,7H2,(H2,27,28)(H,30,35)(H,36,37)/b20-11+,31-15+