1,3-benzothiazol-2-ylmethyl 4-(trifluoromethylsulfonyl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(trifluoromethylsulfonyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(trifluoromethylsulfonyl)benzoate CAS Name: 4-(trifluoromethylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(trifluoromethylsulfonyl)benzoate Traditional Name: 4-triflylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H10F3NO4S2 MolecularWeight: 401.38011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H10F3NO4S2/c17-16(18,19)26(22,23)11-7-5-10(6-8-11)15(21)24-9-14-20-12-3-1-2-4-13(12)25-14/h1-8H,9H2