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

Systemtic Name: 2-phenylmethoxyethyl 3-cyano-2-[3-(2-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-benzyloxyethyl 3-cyano-2-[3-(2-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(2-ethoxyphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-phenylmethoxyethyl ester IUPAC Name: 2-phenylmethoxyethyl 3-cyano-2-[3-(2-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(3-o-phenetylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-benzoxyethyl ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCOCC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCOCC4=CC=CC=C4)C#N

InChI

InChI=1S/C29H31N3O5S/c1-2-36-25-11-7-6-10-22(25)12-13-27(33)31-28-24(18-30)23-14-15-32(19-26(23)38-28)29(34)37-17-16-35-20-21-8-4-3-5-9-21/h3-11H,2,12-17,19-20H2,1H3,(H,31,33)