[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

C1CC(OC1)CNC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N2O4S/c22-12-15-6-1-3-9-18(15)28-19-10-4-2-8-17(19)21(25)27-14-20(24)23-13-16-7-5-11-26-16/h1-4,6,8-10,16H,5,7,11,13-14H2,(H,23,24)