ethyl 3-cyano-6-methyl-2-[2-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-pyridine-4-carboxylate

Systemtic Name: ethyl 3-cyano-6-methyl-2-[2-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-pyridine-4-carboxylate Openeye Name: ethyl 3-cyano-6-methyl-2-[2-(thiophene-2-carbonylamino)phenyl]sulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-methyl-2-[[2-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-6-methyl-2-[2-(thiophene-2-carbonylamino)phenyl]sulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-methyl-2-[[2-(2-thenoylamino)phenyl]thio]isonicotinic acid ethyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=C1C#N)SC2=CC=CC=C2NC(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=C1C#N)SC2=CC=CC=C2NC(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H17N3O3S2/c1-3-27-21(26)14-11-13(2)23-20(15(14)12-22)29-17-8-5-4-7-16(17)24-19(25)18-9-6-10-28-18/h4-11H,3H2,1-2H3,(H,24,25)