methyl 6-but-2-ynoyl-2-[(3,5-dimethylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-but-2-ynoyl-2-[(3,5-dimethylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-but-2-ynoyl-2-[(3,5-dimethylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethylphenyl)sulfamoyl]-6-(1-oxobut-2-ynyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-but-2-ynoyl-2-[(3,5-dimethylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-but-2-ynoyl-2-[(3,5-dimethylphenyl)sulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC#CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H22N2O5S2/c1-5-6-18(24)23-8-7-16-17(12-23)29-21(19(16)20(25)28-4)30(26,27)22-15-10-13(2)9-14(3)11-15/h9-11,22H,7-8,12H2,1-4H3