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

Systemtic Name: 3-methyl-2-[(2-methylsulfanylphenyl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-methylsulfanylbenzoyl)amino]butanoic acid CAS Name: 3-methyl-2-[[[2-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(methylthio)benzoyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-8(2)11(13(16)17)14-12(15)9-6-4-5-7-10(9)18-3/h4-8,11H,1-3H3,(H,14,15)(H,16,17)