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

Systemtic Name: ethyl 3-[[2-(pyridin-4-ylmethylsulfanyl)pyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(4-pyridylmethylsulfanyl)pyridine-3-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[2-(pyridin-4-ylmethylthio)-3-pyridinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonyl]amino]benzoate Traditional Name: 3-[[2-(4-pyridylmethylthio)nicotinoyl]amino]benzoic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-2-27-21(26)16-5-3-6-17(13-16)24-19(25)18-7-4-10-23-20(18)28-14-15-8-11-22-12-9-15/h3-13H,2,14H2,1H3,(H,24,25)