ethyl 4-[[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(2-benzylsulfanylpyridine-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[2-(phenylmethylthio)-3-pyridinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzylsulfanylpyridine-3-carbonyl)amino]benzoate Traditional Name: 4-[[2-(benzylthio)nicotinoyl]amino]benzoic acid ethyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-2-27-22(26)17-10-12-18(13-11-17)24-20(25)19-9-6-14-23-21(19)28-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,24,25)