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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C)CC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CC=CC=N4)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C)CC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CC=CC=N4)C#N

InChI

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