[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C29H22N2O4S MolecularWeight: 494.56098

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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=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C29H22N2O4S/c1-34-23-14-9-13-22(18-23)31-28(32)27(20-10-3-2-4-11-20)35-29(33)24-15-6-8-17-26(24)36-25-16-7-5-12-21(25)19-30/h2-18,27H,1H3,(H,31,32)