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

Systemtic Name: methyl 6-[(2-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-[(2-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(2-ethoxyphenyl)methyl]-2-(1-pyrrolidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(2-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(2-ethoxybenzyl)-2-pyrrolidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H28N2O5S2/c1-3-29-18-9-5-4-8-16(18)14-23-13-10-17-19(15-23)30-22(20(17)21(25)28-2)31(26,27)24-11-6-7-12-24/h4-5,8-9H,3,6-7,10-15H2,1-2H3