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

Systemtic Name: methyl 6-[(4-methoxy-3-methyl-phenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-[(4-methoxy-3-methyl-phenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(4-methoxy-3-methylphenyl)methyl]-2-(1-pyrrolidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-methoxy-3-methylphenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(4-methoxy-3-methyl-benzyl)-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:

CC1=C(C=CC(=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCC4)OC

InChI

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