2-methoxyethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: 2-methoxyethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-methoxyethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-methoxyethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC(=CC=C3)OC

Isomeric SMILES

COCCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H25N3O5S/c1-28-10-11-30-22(27)25-9-8-17-18(13-23)21(31-19(17)14-25)24-20(26)7-6-15-4-3-5-16(12-15)29-2/h3-5,12H,6-11,14H2,1-2H3,(H,24,26)