[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OC(C)C(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)O[C@@H](C)C(=O)NC(C)C)C

InChI

InChI=1S/C16H23NO3S/c1-10(2)17-16(19)13(5)20-15(18)9-21-14-7-6-11(3)8-12(14)4/h6-8,10,13H,9H2,1-5H3,(H,17,19)/t13-/m0/s1