2-[2-azanylidene-4-ethyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethanesulfonamide

Systemtic Name: 2-[2-azanylidene-4-ethyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethanesulfonamide Openeye Name: 2-[4-ethyl-2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide CAS Name: 2-[4-ethyl-2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide IUPAC Name: 2-[4-ethyl-2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide Traditional Name: 2-[4-ethyl-2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanesulfonamide Formula: C12H14F3N3O3S2 MolecularWeight: 369.38307

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C1N(C(=N)S2)CCS(=O)(=O)N)OC(F)(F)F

Isomeric SMILES

CCC1=CC(=CC2=C1N(C(=N)S2)CCS(=O)(=O)N)OC(F)(F)F

InChI

InChI=1S/C12H14F3N3O3S2/c1-2-7-5-8(21-12(13,14)15)6-9-10(7)18(11(16)22-9)3-4-23(17,19)20/h5-6,16H,2-4H2,1H3,(H2,17,19,20)