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

Systemtic Name: methyl 6-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(4-ethoxyphenyl)methyl]-2-(1-pyrrolidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(4-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=C(C=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H28N2O5S2/c1-3-29-17-8-6-16(7-9-17)14-23-13-10-18-19(15-23)30-22(20(18)21(25)28-2)31(26,27)24-11-4-5-12-24/h6-9H,3-5,10-15H2,1-2H3