propyl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-(pyridin-3-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: propyl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-(pyridin-3-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: propyl 4-(4-isobutylphenyl)-5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-(4-isobutylphenyl)-5-methyl-2-nicotinamido-thiophene-3-carboxylic acid propyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S/c1-5-13-30-25(29)22-21(19-10-8-18(9-11-19)14-16(2)3)17(4)31-24(22)27-23(28)20-7-6-12-26-15-20/h6-12,15-16H,5,13-14H2,1-4H3,(H,27,28)