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

Systemtic Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[[oxo(pyridin-4-yl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate Traditional Name: 2-isonicotinamido-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=NC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=NC=C3)C

InChI

InChI=1S/C21H20N2O4S/c1-4-27-16-7-5-14(6-8-16)17-13(2)28-20(18(17)21(25)26-3)23-19(24)15-9-11-22-12-10-15/h5-12H,4H2,1-3H3,(H,23,24)