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

Systemtic Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-nitrophenyl)-2-[[oxo(pyridin-4-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate Traditional Name: 2-isonicotinamido-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H17N3O5S/c1-3-28-20(25)17-16(13-4-6-15(7-5-13)23(26)27)12(2)29-19(17)22-18(24)14-8-10-21-11-9-14/h4-11H,3H2,1-2H3,(H,22,24)