(2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-methoxyphenyl)thio]propanamide IUPAC Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[(4-methoxyphenyl)thio]propionamide Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=CC=C(C=C1)OC

Isomeric SMILES

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)SC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H22N2O2S/c1-11(2)16(4,10-17)18-15(19)12(3)21-14-8-6-13(20-5)7-9-14/h6-9,11-12H,1-5H3,(H,18,19)/t12-,16-/m0/s1