S-(4-chlorophenyl) 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbothioate

Systemtic Name: S-(4-chlorophenyl) 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbothioate Openeye Name: S-(4-chlorophenyl) 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbothioate CAS Name: 3-(methylthio)-6,7-dihydro-2-benzothiophene-1-carbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbothioate Traditional Name: 3-(methylthio)-6,7-dihydroisobenzothiophene-1-carbothioic acid S-(4-chlorophenyl) ester Formula: C16H13ClOS3 MolecularWeight: 352.92182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClOS3/c1-19-16-13-5-3-2-4-12(13)14(21-16)15(18)20-11-8-6-10(17)7-9-11/h3,5-9H,2,4H2,1H3