[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c18-13-17(9-5-2-6-10-17)19-15(20)11-22-16(21)12-23-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-12H2,(H,19,20)