[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino] 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino] 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino] 3-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino] ester IUPAC Name: [[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino] 3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino] ester Formula: C25H22N6O7S4 MolecularWeight: 646.73818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N4C(C(C4=O)C=S)SC3)C(=O)ONC(=O)C(=NOC)C5=CSC(=N5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N4C(C(C4=O)C=S)SC3)C(=O)ONC(=O)/C(=N/OC)/C5=CSC(=N5)N)OC

InChI

InChI=1S/C25H22N6O7S4/c1-35-16-5-4-11(6-17(16)36-2)14-9-40-21(27-14)13-8-41-23-12(7-39)22(33)31(23)19(13)24(34)38-30-20(32)18(29-37-3)15-10-42-25(26)28-15/h4-7,9-10,12,23H,8H2,1-3H3,(H2,26,28)(H,30,32)/b29-18+