4-[methyl-(2-methylsulfanylphenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(2-methylsulfanylphenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-(2-methylsulfanylbenzoyl)amino]butanoic acid CAS Name: 4-[methyl-[[2-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(2-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 4-[methyl-[2-(methylthio)benzoyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC=CC=C1SC

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C13H17NO3S/c1-14(9-5-8-12(15)16)13(17)10-6-3-4-7-11(10)18-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,16)