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

Systemtic Name: methyl 2-[(4-methylphenyl)methylsulfamoyl]-6-pent-4-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-pent-4-enoyl-2-(p-tolylmethylsulfamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)methylsulfamoyl]-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)methylsulfamoyl]-6-pent-4-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[(4-methylbenzyl)sulfamoyl]-6-pent-4-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S2/c1-4-5-6-19(25)24-12-11-17-18(14-24)30-22(20(17)21(26)29-3)31(27,28)23-13-16-9-7-15(2)8-10-16/h4,7-10,23H,1,5-6,11-14H2,2-3H3