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

Systemtic Name: 2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-phenylsulfanyl-cyclohexan-1-one Openeye Name: 2-(4-chloro-1,1-dioxo-2,3-dihydrobenzothiophene-5-carbonyl)-3-phenylsulfanyl-cyclohexanone CAS Name: 2-[(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-oxomethyl]-3-(phenylthio)-1-cyclohexanone IUPAC Name: 2-(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carbonyl)-3-phenylsulfanylcyclohexan-1-one Traditional Name: 2-(4-chloro-1,1-diketo-2,3-dihydrobenzothiophene-5-carbonyl)-3-(phenylthio)cyclohexanone Formula: C21H19ClO4S2 MolecularWeight: 434.95616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl)SC4=CC=CC=C4

Isomeric SMILES

C1CC(C(C(=O)C1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C21H19ClO4S2/c22-20-14-11-12-28(25,26)18(14)10-9-15(20)21(24)19-16(23)7-4-8-17(19)27-13-5-2-1-3-6-13/h1-3,5-6,9-10,17,19H,4,7-8,11-12H2