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

Systemtic Name: 2-[(2-methylphenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-(o-tolylcarbamoylamino)butanoic acid CAS Name: 2-[[(2-methylanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(o-tolylcarbamoylamino)butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H18N2O3S/c1-9-5-3-4-6-10(9)14-13(18)15-11(12(16)17)7-8-19-2/h3-6,11H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)