[(1R)-1-cyanoethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid [(1R)-1-cyanoethyl] ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OC(C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)O[C@H](C)C#N

InChI

InChI=1S/C14H16N2O3S/c1-10-4-3-5-12(6-10)16-13(17)8-20-9-14(18)19-11(2)7-15/h3-6,11H,8-9H2,1-2H3,(H,16,17)/t11-/m1/s1