[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-oxo-2-[1-(2-thienyl)ethylamino]ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-2-[1-(2-thienyl)ethylamino]ethyl] ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C22H18N2O3S2/c1-15(18-11-6-12-28-18)24-21(25)14-27-22(26)17-8-3-5-10-20(17)29-19-9-4-2-7-16(19)13-23/h2-12,15H,14H2,1H3,(H,24,25)