2-[[4-chloranyl-7-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-phenylsulfanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[[4-chloranyl-7-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-phenylsulfanyl-cyclohex-2-en-1-one Openeye Name: 2-(4-chloro-7-methyl-1,1-dioxo-2,3-dihydrobenzothiophene-5-carbonyl)-3-phenylsulfanyl-cyclohex-2-en-1-one CAS Name: 2-[(4-chloro-7-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-oxomethyl]-3-(phenylthio)-1-cyclohex-2-enone IUPAC Name: 2-(4-chloro-7-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carbonyl)-3-phenylsulfanylcyclohex-2-en-1-one Traditional Name: 2-(4-chloro-1,1-diketo-7-methyl-2,3-dihydrobenzothiophene-5-carbonyl)-3-(phenylthio)cyclohex-2-en-1-one Formula: C22H19ClO4S2 MolecularWeight: 446.96686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)C3=C(CCCC3=O)SC4=CC=CC=C4)Cl)CCS2(=O)=O

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)C3=C(CCCC3=O)SC4=CC=CC=C4)Cl)CCS2(=O)=O

InChI

InChI=1S/C22H19ClO4S2/c1-13-12-16(20(23)15-10-11-29(26,27)22(13)15)21(25)19-17(24)8-5-9-18(19)28-14-6-3-2-4-7-14/h2-4,6-7,12H,5,8-11H2,1H3