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

Systemtic Name: (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-N-[(3Z)-3-[4-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-3H-1,3-thiazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-[[3,4-bis(oxidanyl)phenyl]methoxyimino]ethanamide Openeye Name: (2E)-2-(2-aminothiazol-4-yl)-N-[(3Z)-2-(dihydroxymethylene)-3-[4-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-thiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-[(3,4-dihydroxyphenyl)methoxyimino]acetamide CAS Name: (2E)-2-(2-amino-4-thiazolyl)-N-[(3Z)-2-(dihydroxymethylidene)-3-[4-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-3H-thiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-[(3,4-dihydroxyphenyl)methoxyimino]acetamide IUPAC Name: (2E)-2-(2-amino-1,3-thiazol-4-yl)-N-[(3Z)-2-(dihydroxymethylidene)-3-[4-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-1,3-thiazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-[(3,4-dihydroxyphenyl)methoxyimino]acetamide Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-N-[(3Z)-2-(dihydroxymethylene)-3-[4-(3,4-diketocyclohexa-1,5-dien-1-yl)-4-thiazolin-2-ylidene]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-protocatechuyloximino-acetamide Formula: C29H22N6O9S4 MolecularWeight: 726.77978

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C2NC(=CS2)C3=CC(=O)C(=O)C=C3)C(=C(O)O)N4C(S1)C(C4=O)(C=S)NC(=O)C(=NOCC5=CC(=C(C=C5)O)O)C6=CSC(=N6)N

Isomeric SMILES

C1/C(=C\2/NC(=CS2)C3=CC(=O)C(=O)C=C3)/C(=C(O)O)N4C(S1)C(C4=O)(C=S)NC(=O)/C(=N/OCC5=CC(=C(C=C5)O)O)/C6=CSC(=N6)N

InChI

InChI=1S/C29H22N6O9S4/c30-28-32-16(10-48-28)21(34-44-7-12-1-3-17(36)19(38)5-12)23(40)33-29(11-45)26(43)35-22(25(41)42)14(8-47-27(29)35)24-31-15(9-46-24)13-2-4-18(37)20(39)6-13/h1-6,9-11,27,31,36,38,41-42H,7-8H2,(H2,30,32)(H,33,40)/b24-14+,34-21+