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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCCC3=CC=NC=C3)C#N)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(CC(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)OCCC3=CC=NC=C3)C#N)C4=CC(=CC=C4)OC

InChI

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