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

Systemtic Name: 2-pyridin-3-ylethyl 3-cyano-2-[3-(2-ethoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(3-pyridyl)ethyl 3-cyano-2-[3-(2-ethoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(2-ethoxyphenyl)-1-oxobutyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-(3-pyridinyl)ethyl ester IUPAC Name: 2-pyridin-3-ylethyl 3-cyano-2-[3-(2-ethoxyphenyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(3-o-phenetylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-(3-pyridyl)ethyl ester Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C)CC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CN=CC=C4)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C(C)CC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CN=CC=C4)C#N

InChI

InChI=1S/C28H30N4O4S/c1-3-35-24-9-5-4-8-21(24)19(2)15-26(33)31-27-23(16-29)22-10-13-32(18-25(22)37-27)28(34)36-14-11-20-7-6-12-30-17-20/h4-9,12,17,19H,3,10-11,13-15,18H2,1-2H3,(H,31,33)