ethyl 4-(4-chlorophenyl)-5-methyl-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[oxo(pyridin-4-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-isonicotinamido-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H17ClN2O3S/c1-3-26-20(25)17-16(13-4-6-15(21)7-5-13)12(2)27-19(17)23-18(24)14-8-10-22-11-9-14/h4-11H,3H2,1-2H3,(H,23,24)