ethyl 3-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H19N3O3S/c1-2-29-23(28)17-9-6-10-19(13-17)25-21(27)15-30-22-18(14-24)11-12-20(26-22)16-7-4-3-5-8-16/h3-13H,2,15H2,1H3,(H,25,27)