[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H14N2O3S MolecularWeight: 362.40176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C20H14N2O3S/c21-12-14-6-1-3-9-18(14)26-19-10-4-2-7-15(19)20(24)25-13-17(23)16-8-5-11-22-16/h1-11,22H,13H2