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

Systemtic Name: 4-[methyl-(4-methylsulfanylphenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-(4-methylsulfanylbenzoyl)amino]butanoic acid CAS Name: 4-[methyl-[[4-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(4-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 4-[methyl-[4-(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=C(C=C1)SC

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-14(9-3-4-12(15)16)13(17)10-5-7-11(18-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,15,16)