ethyl 3-cyano-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-cyano-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[3-(p-tolylsulfonyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(3-tosylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O5S2/c1-3-29-21(26)24-10-8-16-17(12-22)20(30-18(16)13-24)23-19(25)9-11-31(27,28)15-6-4-14(2)5-7-15/h4-7H,3,8-11,13H2,1-2H3,(H,23,25)