methyl 4-[[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(p-tolylsulfanyl)pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[2-[(4-methylphenyl)thio]-3-pyridinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylphenyl)sulfanylpyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(p-tolylthio)nicotinoyl]amino]benzoic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H18N2O3S/c1-14-5-11-17(12-6-14)27-20-18(4-3-13-22-20)19(24)23-16-9-7-15(8-10-16)21(25)26-2/h3-13H,1-2H3,(H,23,24)