(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-phenylmethoxyimino-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-phenylmethoxyimino-ethanamide Openeye Name: (2E)-2-(2-aminothiazol-4-yl)-2-benzyloxyimino-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]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-phenylmethoxyiminoacetamide 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-phenylmethoxyiminoacetamide Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-2-benzyloximino-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]acetamide Formula: C28H21N7O8S3 MolecularWeight: 679.70344

Click to see the large picture

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=CC=C5)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=CC=C5)/C6=CSC(=N6)N

InChI

InChI=1S/C28H21N7O8S3/c29-27-30-16(11-46-27)19(34-42-9-13-4-2-1-3-5-13)21(38)31-28(12-44)25(41)35-20(24(39)40)15(10-45-26(28)35)23-33-32-22(43-23)14-6-7-17(36)18(37)8-14/h1-8,11-12,26,33,39-40H,9-10H2,(H2,29,30)(H,31,38)/b23-15+,34-19+