methyl 3-[[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(2-benzylsulfanylpyridine-3-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[2-(phenylmethylthio)-3-pyridinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-benzylsulfanylpyridine-3-carbonyl)amino]benzoate Traditional Name: 3-[[2-(benzylthio)nicotinoyl]amino]benzoic acid methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c1-26-21(25)16-9-5-10-17(13-16)23-19(24)18-11-6-12-22-20(18)27-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,24)