3-methyl-2-[(4-methylsulfanylphenyl)carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(4-methylsulfanylphenyl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid CAS Name: 3-methyl-2-[[[4-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 3-methyl-2-[[4-(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=C(C=C1)SC

Isomeric SMILES

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

InChI

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