methyl 2-[2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-oxidanylidene-cyclohexyl]sulfonylbenzoate

Systemtic Name: methyl 2-[2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-oxidanylidene-cyclohexyl]sulfonylbenzoate Openeye Name: methyl 2-[2-(4-chloro-1,1-dioxo-2,3-dihydrobenzothiophene-5-carbonyl)-3-oxo-cyclohexyl]sulfonylbenzoate CAS Name: 2-[2-[(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-oxomethyl]-3-oxocyclohexyl]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carbonyl)-3-oxocyclohexyl]sulfonylbenzoate Traditional Name: 2-[2-(4-chloro-1,1-diketo-2,3-dihydrobenzothiophene-5-carbonyl)-3-keto-cyclohexyl]sulfonylbenzoic acid methyl ester Formula: C23H21ClO8S2 MolecularWeight: 524.99104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCCC(=O)C2C(=O)C3=C(C4=C(C=C3)S(=O)(=O)CC4)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)C2CCCC(=O)C2C(=O)C3=C(C4=C(C=C3)S(=O)(=O)CC4)Cl

InChI

InChI=1S/C23H21ClO8S2/c1-32-23(27)14-5-2-3-7-18(14)34(30,31)19-8-4-6-16(25)20(19)22(26)15-9-10-17-13(21(15)24)11-12-33(17,28)29/h2-3,5,7,9-10,19-20H,4,6,8,11-12H2,1H3