3-[2-[(4-methylphenyl)carbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-[(4-methylphenyl)carbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[(4-methylbenzoyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[[(4-methylphenyl)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[(4-methylbenzoyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 4-keto-3-[[2-(p-toluoylamino)ethylthio]methyl]-4-(3-pyridyl)butyric acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-14-4-6-15(7-5-14)20(26)22-9-10-27-13-17(11-18(23)24)19(25)16-3-2-8-21-12-16/h2-8,12,17H,9-11,13H2,1H3,(H,22,26)(H,23,24)