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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-11-4-6-12(7-5-11)19-10-8-13(16)15-9-2-3-14(17)18/h4-7H,2-3,8-10H2,1H3,(H,15,16)(H,17,18)