(2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2S)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2S)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-8-3-5-10(6-4-8)13-11(14)7-17-9(2)12(15)16/h3-6,9H,7H2,1-2H3,(H,13,14)(H,15,16)/p-1/t9-/m0/s1