O-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] [3-(trifluoromethyl)phenyl]methylsulfanylmethanethioate

Systemtic Name: O-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] [3-(trifluoromethyl)phenyl]methylsulfanylmethanethioate Openeye Name: O-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] [3-(trifluoromethyl)phenyl]methylsulfanylmethanethioate CAS Name: [[3-(trifluoromethyl)phenyl]methylthio]methanethioic acid O-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] ester IUPAC Name: O-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] [3-(trifluoromethyl)phenyl]methylsulfanylmethanethioate Traditional Name: [[3-(trifluoromethyl)benzyl]thio]methanethioic acid O-[3-(2-keto-1,3-benzothiazol-3-yl)propyl] ester Formula: C19H16F3NO2S3 MolecularWeight: 443.52605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC(=S)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC(=S)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3NO2S3/c20-19(21,22)14-6-3-5-13(11-14)12-27-18(26)25-10-4-9-23-15-7-1-2-8-16(15)28-17(23)24/h1-3,5-8,11H,4,9-10,12H2