4-[methyl-[2-(4-methylphenyl)sulfanylethanoyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[2-(4-methylphenyl)sulfanylethanoyl]amino]butanoic acid Openeye Name: 4-[methyl-[2-(p-tolylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-[methyl-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 4-[methyl-[2-(p-tolylthio)acetyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-11-5-7-12(8-6-11)19-10-13(16)15(2)9-3-4-14(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)