[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C30H20N2O3S MolecularWeight: 488.5564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

InChI

InChI=1S/C30H20N2O3S/c31-18-21-12-4-8-16-26(21)36-27-17-9-6-14-23(27)30(34)35-29(20-10-2-1-3-11-20)28(33)24-19-32-25-15-7-5-13-22(24)25/h1-17,19,29,32H