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

Systemtic Name: 2-pyridin-2-ylethyl 3-cyano-2-[3-(3-methoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(2-pyridyl)ethyl 3-cyano-2-[3-(3-methoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(3-methoxyphenyl)-1-oxobutyl]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-(3-methoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(3-methoxyphenyl)butanoylamino]-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:

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCCC3=CC=CC=N3)C#N)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCCC3=CC=CC=N3)C#N)C4=CC(=CC=C4)OC

InChI

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