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

Systemtic Name: propyl 4-(4-chlorophenyl)-5-methyl-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3S/c1-3-12-27-21(26)18-17(14-4-6-16(22)7-5-14)13(2)28-20(18)24-19(25)15-8-10-23-11-9-15/h4-11H,3,12H2,1-2H3,(H,24,25)