2-[[5,8-dimethyl-1,1-bis(oxidanylidene)-4-propan-2-yloxy-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-3-phenylsulfanyl-cyclohexan-1-one

Systemtic Name: 2-[[5,8-dimethyl-1,1-bis(oxidanylidene)-4-propan-2-yloxy-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-3-phenylsulfanyl-cyclohexan-1-one Openeye Name: 2-(4-isopropoxy-5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-phenylsulfanyl-cyclohexanone CAS Name: 2-[(5,8-dimethyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-3-(phenylthio)-1-cyclohexanone IUPAC Name: 2-(5,8-dimethyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-phenylsulfanylcyclohexan-1-one Traditional Name: 2-(4-isopropoxy-1,1-diketo-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-(phenylthio)cyclohexanone Formula: C27H32O5S2 MolecularWeight: 500.66998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)C3C(CCCC3=O)SC4=CC=CC=C4)C)C(CCS2(=O)=O)OC(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)C3C(CCCC3=O)SC4=CC=CC=C4)C)C(CCS2(=O)=O)OC(C)C

InChI

InChI=1S/C27H32O5S2/c1-16(2)32-22-13-14-34(30,31)27-17(3)15-20(18(4)24(22)27)26(29)25-21(28)11-8-12-23(25)33-19-9-6-5-7-10-19/h5-7,9-10,15-16,22-23,25H,8,11-14H2,1-4H3