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

Systemtic Name: methyl 3-methyl-4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]benzoate Openeye Name: methyl 3-methyl-4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzoate CAS Name: 3-methyl-4-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzoate Traditional Name: 3-methyl-4-[[2-(phenylthio)nicotinoyl]amino]benzoic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

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