3-[3-(4-methylphenyl)sulfanylpropanoylamino]butanoic acid

Systemtic Name: 3-[3-(4-methylphenyl)sulfanylpropanoylamino]butanoic acid Openeye Name: 3-[3-(p-tolylsulfanyl)propanoylamino]butanoic acid CAS Name: 3-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[3-(4-methylphenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 3-[3-(p-tolylthio)propanoylamino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC(C)CC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-10-3-5-12(6-4-10)19-8-7-13(16)15-11(2)9-14(17)18/h3-6,11H,7-9H2,1-2H3,(H,15,16)(H,17,18)