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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCO)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)OC)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCO)C#N

InChI

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