(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-N-[(3Z)-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-7-yl]-2-[(4-hydroxyphenyl)methoxyimino]ethanamide

Systemtic Name: (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-N-[(3Z)-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-7-yl]-2-[(4-hydroxyphenyl)methoxyimino]ethanamide Openeye Name: (2E)-2-(2-aminothiazol-4-yl)-N-[(3Z)-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-7-yl]-2-[(4-hydroxyphenyl)methoxyimino]acetamide CAS Name: (2E)-2-(2-amino-4-thiazolyl)-N-[(3Z)-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-7-yl]-2-[(4-hydroxyphenyl)methoxyimino]acetamide IUPAC Name: (2E)-2-(2-amino-1,3-thiazol-4-yl)-N-[(3Z)-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-7-yl]-2-[(4-hydroxyphenyl)methoxyimino]acetamide Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-N-[(3Z)-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-7-yl]-2-(4-hydroxybenzyl)oximino-acetamide Formula: C28H21N7O9S3 MolecularWeight: 695.70284

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C2NN=C(O2)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)C6=CSC(=N6)N

Isomeric SMILES

C1/C(=C\2/NN=C(O2)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)/C6=CSC(=N6)N

InChI

InChI=1S/C28H21N7O9S3/c29-27-30-16(10-47-27)19(34-43-8-12-1-4-14(36)5-2-12)21(39)31-28(11-45)25(42)35-20(24(40)41)15(9-46-26(28)35)23-33-32-22(44-23)13-3-6-17(37)18(38)7-13/h1-7,10-11,26,33,36,40-41H,8-9H2,(H2,29,30)(H,31,39)/b23-15+,34-19+