[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C16H18N2O3S/c1-22-13-7-3-2-6-12(13)15(20)21-10-14(19)18-16(11-17)8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3,(H,18,19)