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

Systemtic Name: (2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanoic acid Openeye Name: (2S)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbutanoic acid CAS Name: (2S)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]butanoic acid IUPAC Name: (2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbutanoic acid Traditional Name: (2S)-2-[[2-keto-2-(p-toluidino)ethyl]thio]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SCC(=O)NC1=CC=C(C=C1)C

Isomeric SMILES

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

InChI

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