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

Systemtic Name: 2-[[4-chloranyl-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-5-yl]carbonyl]-3-propylsulfanyl-cyclohexan-1-one Openeye Name: 2-(4-chloro-1,1-dioxo-2,3-dihydrobenzothiophene-5-carbonyl)-3-propylsulfanyl-cyclohexanone CAS Name: 2-[(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-oxomethyl]-3-(propylthio)-1-cyclohexanone IUPAC Name: 2-(4-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carbonyl)-3-propylsulfanylcyclohexan-1-one Traditional Name: 2-(4-chloro-1,1-diketo-2,3-dihydrobenzothiophene-5-carbonyl)-3-(propylthio)cyclohexanone Formula: C18H21ClO4S2 MolecularWeight: 400.93994

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1CCCC(=O)C1C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl

Isomeric SMILES

CCCSC1CCCC(=O)C1C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC3)Cl

InChI

InChI=1S/C18H21ClO4S2/c1-2-9-24-14-5-3-4-13(20)16(14)18(21)12-6-7-15-11(17(12)19)8-10-25(15,22)23/h6-7,14,16H,2-5,8-10H2,1H3