[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] [4-cyano-2-(trifluoromethyl)phenyl]methanesulfonate

Systemtic Name: [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] [4-cyano-2-(trifluoromethyl)phenyl]methanesulfonate Openeye Name: [2-(thiazol-2-ylcarbamoyl)phenyl] [4-cyano-2-(trifluoromethyl)phenyl]methanesulfonate CAS Name: [4-cyano-2-(trifluoromethyl)phenyl]methanesulfonic acid [2-[oxo-(2-thiazolylamino)methyl]phenyl] ester IUPAC Name: [2-(1,3-thiazol-2-ylcarbamoyl)phenyl] [4-cyano-2-(trifluoromethyl)phenyl]methanesulfonate Traditional Name: [4-cyano-2-(trifluoromethyl)phenyl]methanesulfonic acid [2-(thiazol-2-ylcarbamoyl)phenyl] ester Formula: C19H12F3N3O4S2 MolecularWeight: 467.44149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC=CS2)OS(=O)(=O)CC3=C(C=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC=CS2)OS(=O)(=O)CC3=C(C=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C19H12F3N3O4S2/c20-19(21,22)15-9-12(10-23)5-6-13(15)11-31(27,28)29-16-4-2-1-3-14(16)17(26)25-18-24-7-8-30-18/h1-9H,11H2,(H,24,25,26)