1,3-benzothiazol-2-ylmethyl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-2-methylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-2-methyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C27H24N4O5S2 MolecularWeight: 548.63326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H24N4O5S2/c1-17-13-14-20(15-21(17)27(33)36-16-24-28-22-11-7-8-12-23(22)37-24)38(34,35)29-25-18(2)30(3)31(26(25)32)19-9-5-4-6-10-19/h4-15,29H,16H2,1-3H3