(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-oxazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-ethoxyimino-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-oxazol-2-ylidene]-2-[bis(oxidanyl)methylidene]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-ethoxyimino-ethanamide Openeye Name: (2E)-2-(2-aminothiazol-4-yl)-N-[(3Z)-2-(dihydroxymethylene)-3-[5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3H-oxazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-ethoxyimino-acetamide CAS Name: (2E)-2-(2-amino-4-thiazolyl)-N-[(3Z)-2-(dihydroxymethylidene)-3-[5-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-3H-oxazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-ethoxyiminoacetamide 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-oxazol-2-ylidene]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-ethoxyiminoacetamide Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-N-[(3Z)-2-(dihydroxymethylene)-3-[5-(3,4-diketocyclohexa-1,5-dien-1-yl)-4-oxazolin-2-ylidene]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-ethyloximino-acetamide Formula: C24H20N6O8S3 MolecularWeight: 616.646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(O)O)C(=C4NC=C(O4)C5=CC(=O)C(=O)C=C5)CS3)C=S

Isomeric SMILES

CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(O)O)/C(=C/4\NC=C(O4)C5=CC(=O)C(=O)C=C5)/CS3)C=S

InChI

InChI=1S/C24H20N6O8S3/c1-2-37-29-16(12-8-41-23(25)27-12)18(33)28-24(9-39)21(36)30-17(20(34)35)11(7-40-22(24)30)19-26-6-15(38-19)10-3-4-13(31)14(32)5-10/h3-6,8-9,22,26,34-35H,2,7H2,1H3,(H2,25,27)(H,28,33)/b19-11+,29-16+