[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C[C@@H](OC1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N2O4S/c22-12-15-5-3-6-16(11-15)23-20(24)13-27-21(25)18-8-1-2-9-19(18)28-14-17-7-4-10-26-17/h1-3,5-6,8-9,11,17H,4,7,10,13-14H2,(H,23,24)/t17-/m1/s1