[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C27H20N2O4S2 MolecularWeight: 500.5887

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H20N2O4S2/c1-32-19-11-7-10-18(16-19)28-25(30)24(17-8-3-2-4-9-17)33-27(31)23-15-14-22(34-23)26-29-20-12-5-6-13-21(20)35-26/h2-16,24H,1H3,(H,28,30)