[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2R)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2R)-2-phenyl-2-(phenylthio)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2R)-2-phenyl-2-(phenylthio)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S/c24-17-23(14-8-3-9-15-23)25-20(26)16-28-22(27)21(18-10-4-1-5-11-18)29-19-12-6-2-7-13-19/h1-2,4-7,10-13,21H,3,8-9,14-16H2,(H,25,26)/t21-/m1/s1