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

Systemtic Name: methyl 4-methyl-5-(phenylcarbamoyl)-2-(pyridin-4-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-5-(phenylcarbamoyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[oxo(pyridin-4-yl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-5-(phenylcarbamoyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate Traditional Name: 2-isonicotinamido-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=NC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=NC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4S/c1-12-15(20(26)27-2)19(23-17(24)13-8-10-21-11-9-13)28-16(12)18(25)22-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)(H,23,24)