[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OC(C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-13-9-10-14(2)17(11-13)24-12-18(21)23-15(3)19(22)20-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,20,22)/t15-/m0/s1