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

Systemtic Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-(pyridin-3-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-2-nicotinamido-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H19N3O4S/c1-3-28-21(27)16-13(2)17(19(26)23-15-9-5-4-6-10-15)29-20(16)24-18(25)14-8-7-11-22-12-14/h4-12H,3H2,1-2H3,(H,23,26)(H,24,25)