[(1R)-1-cyanoethyl] 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic acid [(1R)-1-cyanoethyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-10-4-5-13(11(2)6-10)17-14(18)8-21-9-15(19)20-12(3)7-16/h4-6,12H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1