S-[4-(trifluoromethyl)phenyl] 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbothioate

Systemtic Name: S-[4-(trifluoromethyl)phenyl] 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbothioate Openeye Name: S-[4-(trifluoromethyl)phenyl] 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbothioate CAS Name: 3-(methylthio)-6,7-dihydro-2-benzothiophene-1-carbothioic acid S-[4-(trifluoromethyl)phenyl] ester IUPAC Name: S-[4-(trifluoromethyl)phenyl] 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbothioate Traditional Name: 3-(methylthio)-6,7-dihydroisobenzothiophene-1-carbothioic acid S-[4-(trifluoromethyl)phenyl] ester Formula: C17H13F3OS3 MolecularWeight: 386.47473

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C=CCCC2=C(S1)C(=O)SC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSC1=C2C=CCCC2=C(S1)C(=O)SC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3OS3/c1-22-16-13-5-3-2-4-12(13)14(24-16)15(21)23-11-8-6-10(7-9-11)17(18,19)20/h3,5-9H,2,4H2,1H3