2-[(2-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-methylbenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(o-toluoylamino)butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CCSC)C(=O)O

InChI

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