[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c18-8-4-9-19-16(20)11-23-17(21)14-6-1-2-7-15(14)24-12-13-5-3-10-22-13/h1-2,6-7,13H,3-5,9-12H2,(H,19,20)/t13-/m1/s1