methyl 6-(2-methylpropanoyl)-2-(phenethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-(2-methylpropanoyl)-2-(phenethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-(2-methylpropanoyl)-2-(phenethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-(2-methyl-1-oxopropyl)-2-(phenethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-methylpropanoyl)-2-(phenethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-isobutyryl-2-(phenethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S2/c1-14(2)19(24)23-12-10-16-17(13-23)29-21(18(16)20(25)28-3)30(26,27)22-11-9-15-7-5-4-6-8-15/h4-8,14,22H,9-13H2,1-3H3