[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)OC

InChI

InChI=1S/C24H20N2O5S/c1-29-18-11-17(12-19(13-18)30-2)26-23(27)15-31-24(28)20-8-4-6-10-22(20)32-21-9-5-3-7-16(21)14-25/h3-13H,15H2,1-2H3,(H,26,27)