ethyl 5-cyano-2-methyl-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-pyridine-3-carboxylate Openeye Name: ethyl 6-benzylsulfanyl-5-cyano-2-methyl-4-(2-thienyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(phenylmethylthio)-4-thiophen-2-yl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzylsulfanyl-5-cyano-2-methyl-4-thiophen-2-ylpyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-methyl-4-(2-thienyl)nicotinic acid ethyl ester Formula: C21H18N2O2S2 MolecularWeight: 394.50982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CS2)C#N)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CS2)C#N)SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H18N2O2S2/c1-3-25-21(24)18-14(2)23-20(27-13-15-8-5-4-6-9-15)16(12-22)19(18)17-10-7-11-26-17/h4-11H,3,13H2,1-2H3