ethyl 3-[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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=C(C=C3)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S/c1-3-30-24(29)18-5-4-6-20(13-18)26-22(28)15-31-23-19(14-25)11-12-21(27-23)17-9-7-16(2)8-10-17/h4-13H,3,15H2,1-2H3,(H,26,28)