1,3-benzothiazol-2-ylmethyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15F3N2O4S2 MolecularWeight: 444.44791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O4S2/c19-18(20,21)12-4-3-5-13(10-12)29(25,26)22-9-8-17(24)27-11-16-23-14-6-1-2-7-15(14)28-16/h1-7,10,22H,8-9,11H2