2-[(2-methylphenyl)amino]-4-[2-oxidanylidene-2-(2,3,4,5-tetrahydropyridin-4-yl)ethyl]sulfanyl-butanoic acid

Systemtic Name: 2-[(2-methylphenyl)amino]-4-[2-oxidanylidene-2-(2,3,4,5-tetrahydropyridin-4-yl)ethyl]sulfanyl-butanoic acid Openeye Name: 2-(2-methylanilino)-4-[2-oxo-2-(2,3,4,5-tetrahydropyridin-4-yl)ethyl]sulfanyl-butanoic acid CAS Name: 2-(2-methylanilino)-4-[[2-oxo-2-(2,3,4,5-tetrahydropyridin-4-yl)ethyl]thio]butanoic acid IUPAC Name: 2-(2-methylanilino)-4-[2-oxo-2-(2,3,4,5-tetrahydropyridin-4-yl)ethyl]sulfanylbutanoic acid Traditional Name: 4-[[2-keto-2-(2,3,4,5-tetrahydropyridin-4-yl)ethyl]thio]-2-(o-toluidino)butyric acid Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(CCSCC(=O)C2CCN=CC2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(CCSCC(=O)C2CCN=CC2)C(=O)O

InChI

InChI=1S/C18H24N2O3S/c1-13-4-2-3-5-15(13)20-16(18(22)23)8-11-24-12-17(21)14-6-9-19-10-7-14/h2-5,9,14,16,20H,6-8,10-12H2,1H3,(H,22,23)