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

Systemtic Name: methyl 6-(3-fluorophenyl)carbonyl-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-(3-fluorobenzoyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(3-fluorophenyl)-oxomethyl]-2-(1-pyrrolidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-fluorobenzoyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(3-fluorobenzoyl)-2-pyrrolidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H21FN2O5S2 MolecularWeight: 452.519543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=CC(=CC=C3)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)C3=CC(=CC=C3)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21FN2O5S2/c1-28-19(25)17-15-7-10-22(18(24)13-5-4-6-14(21)11-13)12-16(15)29-20(17)30(26,27)23-8-2-3-9-23/h4-6,11H,2-3,7-10,12H2,1H3