1-(4-chlorophenyl)carbonyl-3-methylsulfanyl-3,3a,5,6,7,7a-hexahydro-1H-2-benzothiophen-4-one

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-methylsulfanyl-3,3a,5,6,7,7a-hexahydro-1H-2-benzothiophen-4-one Openeye Name: 1-(4-chlorobenzoyl)-3-methylsulfanyl-3,3a,5,6,7,7a-hexahydro-1H-2-benzothiophen-4-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-(methylthio)-3,3a,5,6,7,7a-hexahydro-1H-2-benzothiophen-4-one IUPAC Name: 1-(4-chlorobenzoyl)-3-methylsulfanyl-3,3a,5,6,7,7a-hexahydro-1H-2-benzothiophen-4-one Traditional Name: 1-(4-chlorobenzoyl)-3-(methylthio)-3,3a,5,6,7,7a-hexahydro-1H-isobenzothiophen-4-one Formula: C16H17ClO2S2 MolecularWeight: 340.88798

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C2C(CCCC2=O)C(S1)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1C2C(CCCC2=O)C(S1)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17ClO2S2/c1-20-16-13-11(3-2-4-12(13)18)15(21-16)14(19)9-5-7-10(17)8-6-9/h5-8,11,13,15-16H,2-4H2,1H3