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

Systemtic Name: 3-chloranyl-2-[[5,8-dimethyl-1,1-bis(oxidanylidene)-4-propan-2-yloxy-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]cyclohex-2-en-1-one Openeye Name: 3-chloro-2-(4-isopropoxy-5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)cyclohex-2-en-1-one CAS Name: 3-chloro-2-[(5,8-dimethyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-1-cyclohex-2-enone IUPAC Name: 3-chloro-2-(5,8-dimethyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-6-carbonyl)cyclohex-2-en-1-one Traditional Name: 3-chloro-2-(4-isopropoxy-1,1-diketo-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carbonyl)cyclohex-2-en-1-one Formula: C21H25ClO5S MolecularWeight: 424.9382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)C3=C(CCCC3=O)Cl)C)C(CCS2(=O)=O)OC(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)C3=C(CCCC3=O)Cl)C)C(CCS2(=O)=O)OC(C)C

InChI

InChI=1S/C21H25ClO5S/c1-11(2)27-17-8-9-28(25,26)21-12(3)10-14(13(4)18(17)21)20(24)19-15(22)6-5-7-16(19)23/h10-11,17H,5-9H2,1-4H3