ethyl 3-cyano-2-[3-(2-methoxy-5-methyl-phenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-cyano-2-[3-(2-methoxy-5-methyl-phenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[3-(2-methoxy-5-methyl-phenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(2-methoxy-5-methylphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[3-(2-methoxy-5-methylphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(2-methoxy-5-methyl-phenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-4-29-22(27)25-10-9-16-17(12-23)21(30-19(16)13-25)24-20(26)8-6-15-11-14(2)5-7-18(15)28-3/h5,7,11H,4,6,8-10,13H2,1-3H3,(H,24,26)