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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-2-26-21(25)15-10-12-16(13-11-15)23-19(24)18-9-6-14-22-20(18)27-17-7-4-3-5-8-17/h3-14H,2H2,1H3,(H,23,24)