ethyl 2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]-3-pyrrolidin-1-ylcarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]-3-pyrrolidin-1-ylcarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-[[4-(1-piperidylsulfonyl)benzoyl]amino]-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-[oxo(1-pyrrolidinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[(4-piperidinosulfonylbenzoyl)amino]-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C27H34N4O6S2 MolecularWeight: 574.71206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N3CCCC3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N3CCCC3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H34N4O6S2/c1-2-37-27(34)30-17-12-21-22(18-30)38-25(23(21)26(33)29-13-6-7-14-29)28-24(32)19-8-10-20(11-9-19)39(35,36)31-15-4-3-5-16-31/h8-11H,2-7,12-18H2,1H3,(H,28,32)