(2S)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanoate

Systemtic Name: (2S)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanoate Openeye Name: (2S)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylbutanoate CAS Name: (2S)-2-[[2-(3-methylanilino)-2-oxoethyl]thio]butanoate IUPAC Name: (2S)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylbutanoate Traditional Name: (2S)-2-[[2-keto-2-(m-toluidino)ethyl]thio]butyrate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SCC(=O)NC1=CC=CC(=C1)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])SCC(=O)NC1=CC=CC(=C1)C

InChI

InChI=1S/C13H17NO3S/c1-3-11(13(16)17)18-8-12(15)14-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t11-/m0/s1