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

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-[[oxo(pyridin-4-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-isonicotinamido-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-5-29-22(26)19-18(15-6-7-16(27-3)17(12-15)28-4)13(2)30-21(19)24-20(25)14-8-10-23-11-9-14/h6-12H,5H2,1-4H3,(H,24,25)