tert-butyl 3-cyano-2-[3-(2-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: tert-butyl 3-cyano-2-[3-(2-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 3-cyano-2-[3-(2-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(2-ethoxyphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-2-[3-(2-ethoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-(3-o-phenetylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C24H29N3O4S/c1-5-30-19-9-7-6-8-16(19)10-11-21(28)26-22-18(14-25)17-12-13-27(15-20(17)32-22)23(29)31-24(2,3)4/h6-9H,5,10-13,15H2,1-4H3,(H,26,28)