ethyl 2-[2-[4-(2-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H24ClN3O3S2 MolecularWeight: 562.10216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C29H24ClN3O3S2/c1-4-36-29(35)26-17(2)18(3)38-28(26)33-25(34)16-37-27-22(15-31)21(20-12-8-9-13-23(20)30)14-24(32-27)19-10-6-5-7-11-19/h5-14H,4,16H2,1-3H3,(H,33,34)