2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-5-methyl-3-phenylsulfanyl-cyclohexan-1-one

Systemtic Name: 2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-5-methyl-3-phenylsulfanyl-cyclohexan-1-one Openeye Name: 2-(4-chloro-1,1-dioxo-2,3-dihydrobenzothiophene-5-carbonyl)-5-methyl-3-phenylsulfanyl-cyclohexanone CAS Name: 2-[(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-oxomethyl]-5-methyl-3-(phenylthio)-1-cyclohexanone IUPAC Name: 2-(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carbonyl)-5-methyl-3-phenylsulfanylcyclohexan-1-one Traditional Name: 2-(4-chloro-1,1-diketo-2,3-dihydrobenzothiophene-5-carbonyl)-5-methyl-3-(phenylthio)cyclohexanone Formula: C22H21ClO4S2 MolecularWeight: 448.98274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl)SC4=CC=CC=C4

Isomeric SMILES

CC1CC(C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C22H21ClO4S2/c1-13-11-17(24)20(18(12-13)28-14-5-3-2-4-6-14)22(25)16-7-8-19-15(21(16)23)9-10-29(19,26)27/h2-8,13,18,20H,9-12H2,1H3