[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-ethanoyl-phenyl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-ethanoyl-phenyl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [4-acetyl-2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)phenyl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [4-acetyl-2-[(4,5-dihydrothiazol-2-ylthio)methyl]phenyl] ester IUPAC Name: [4-acetyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [4-acetyl-2-[(2-thiazolin-2-ylthio)methyl]phenyl] ester Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)CSC3=NCCS3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)CSC3=NCCS3

InChI

InChI=1S/C21H22N2O5S3/c1-14(24)16-6-9-19(17(12-16)13-30-21-22-10-11-29-21)28-20(25)15-4-7-18(8-5-15)31(26,27)23(2)3/h4-9,12H,10-11,13H2,1-3H3