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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N(C)CCCC(=O)O

InChI

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