methyl 6-(2-ethanoylphenyl)carbonyl-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-(2-ethanoylphenyl)carbonyl-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-(2-acetylbenzoyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(2-acetylphenyl)-oxomethyl]-2-(1-pyrrolidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-acetylbenzoyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(2-acetylbenzoyl)-2-pyrrolidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)N2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H24N2O6S2/c1-14(25)15-7-3-4-8-16(15)20(26)23-12-9-17-18(13-23)31-22(19(17)21(27)30-2)32(28,29)24-10-5-6-11-24/h3-4,7-8H,5-6,9-13H2,1-2H3