methyl 4-(4-propylphenyl)-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-propylphenyl)-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-propylphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate CAS Name: 2-[[oxo(pyridin-4-yl)methyl]amino]-4-(4-propylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-propylphenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate Traditional Name: 2-isonicotinamido-4-(4-propylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H20N2O3S/c1-3-4-14-5-7-15(8-6-14)17-13-27-20(18(17)21(25)26-2)23-19(24)16-9-11-22-12-10-16/h5-13H,3-4H2,1-2H3,(H,23,24)