[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-(diethylsulfamoyl)benzoate

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-(diethylsulfamoyl)benzoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-(diethylsulfamoyl)benzoate CAS Name: 4-(diethylsulfamoyl)benzoic acid [6-[[(4-methyl-2-thiazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-(diethylsulfamoyl)benzoate Traditional Name: 4-(diethylsulfamoyl)benzoic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C21H22N2O6S3 MolecularWeight: 494.60418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC(=CS3)C

InChI

InChI=1S/C21H22N2O6S3/c1-4-23(5-2)32(26,27)17-8-6-15(7-9-17)20(25)29-19-11-28-16(10-18(19)24)13-31-21-22-14(3)12-30-21/h6-12H,4-5,13H2,1-3H3