methyl 2-[(4-methylphenyl)sulfamoyl]-6-pent-4-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfamoyl]-6-pent-4-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-pent-4-enoyl-2-(p-tolylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)sulfamoyl]-6-(1-oxopent-4-enyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfamoyl]-6-pent-4-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-pent-4-enoyl-2-(p-tolylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C3=C(S2)CN(CC3)C(=O)CCC=C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C3=C(S2)CN(CC3)C(=O)CCC=C)C(=O)OC

InChI

InChI=1S/C21H24N2O5S2/c1-4-5-6-18(24)23-12-11-16-17(13-23)29-21(19(16)20(25)28-3)30(26,27)22-15-9-7-14(2)8-10-15/h4,7-10,22H,1,5-6,11-13H2,2-3H3