(phenylmethyl) N-[1-cyano-3-(4-methylsulfanylphenyl)-1-oxidanyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-cyano-3-(4-methylsulfanylphenyl)-1-oxidanyl-propan-2-yl]carbamate Openeye Name: benzyl N-[2-cyano-2-hydroxy-1-[(4-methylsulfanylphenyl)methyl]ethyl]carbamate CAS Name: N-[1-cyano-1-hydroxy-3-[4-(methylthio)phenyl]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-cyano-1-hydroxy-3-(4-methylsulfanylphenyl)propan-2-yl]carbamate Traditional Name: N-[2-cyano-2-hydroxy-1-[4-(methylthio)benzyl]ethyl]carbamic acid benzyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC(C(C#N)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)CC(C(C#N)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O3S/c1-25-16-9-7-14(8-10-16)11-17(18(22)12-20)21-19(23)24-13-15-5-3-2-4-6-15/h2-10,17-18,22H,11,13H2,1H3,(H,21,23)