[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C19H22N2O4S/c1-14(22)12-26-16-8-4-3-7-15(16)18(24)25-11-17(23)21-19(13-20)9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,21,23)