[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)O[C@H](C)C(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C21H28N2O4S/c1-4-26-17-8-10-18(11-9-17)28-14-19(24)27-16(2)20(25)23(3)21(15-22)12-6-5-7-13-21/h8-11,16H,4-7,12-14H2,1-3H3/t16-/m1/s1