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

Systemtic Name: 2-pyridin-2-ylethyl 3-cyano-2-[3-(2-methoxy-5-methyl-phenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(2-pyridyl)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 2-(2-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-2-ylethyl 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 2-(2-pyridyl)ethyl ester Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CC=CC=N4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CC=CC=N4)C#N

InChI

InChI=1S/C27H28N4O4S/c1-18-6-8-23(34-2)19(15-18)7-9-25(32)30-26-22(16-28)21-10-13-31(17-24(21)36-26)27(33)35-14-11-20-5-3-4-12-29-20/h3-6,8,12,15H,7,9-11,13-14,17H2,1-2H3,(H,30,32)