3-[(2-methylsulfanylphenyl)carbonylamino]butanoic acid

Systemtic Name: 3-[(2-methylsulfanylphenyl)carbonylamino]butanoic acid Openeye Name: 3-[(2-methylsulfanylbenzoyl)amino]butanoic acid CAS Name: 3-[[[2-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(2-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 3-[[2-(methylthio)benzoyl]amino]butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C12H15NO3S/c1-8(7-11(14)15)13-12(16)9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)