2-imidazol-1-ylethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: 2-imidazol-1-ylethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-imidazol-1-ylethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-(1-imidazolyl)ethyl ester IUPAC Name: 2-imidazol-1-ylethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-imidazol-1-ylethyl ester Formula: C24H25N5O4S MolecularWeight: 479.5514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCN4C=CN=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCN4C=CN=C4)C#N

InChI

InChI=1S/C24H25N5O4S/c1-32-20-5-3-2-4-17(20)6-7-22(30)27-23-19(14-25)18-8-10-29(15-21(18)34-23)24(31)33-13-12-28-11-9-26-16-28/h2-5,9,11,16H,6-8,10,12-13,15H2,1H3,(H,27,30)