S-[2-[2-azanylidene-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[2-azanylidene-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethyl] ethanethioate Openeye Name: S-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethyl] ester IUPAC Name: S-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethyl] ester Formula: C12H11F3N2O2S2 MolecularWeight: 336.35315

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N

Isomeric SMILES

CC(=O)SCCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N

InChI

InChI=1S/C12H11F3N2O2S2/c1-7(18)20-5-4-17-9-3-2-8(19-12(13,14)15)6-10(9)21-11(17)16/h2-3,6,16H,4-5H2,1H3