2-[2-(2-ethylsulfanylcarbonylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-[2-[[(ethylthio)-oxomethyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-[2-[(ethylthio)carbonylthio]acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)SCC(=O)N1CCC2=CC=CC=C2C1C3C(=O)CC(CC3=O)(C)C

Isomeric SMILES

CCSC(=O)SCC(=O)N1CCC2=CC=CC=C2C1C3C(=O)CC(CC3=O)(C)C

InChI

InChI=1S/C22H27NO4S2/c1-4-28-21(27)29-13-18(26)23-10-9-14-7-5-6-8-15(14)20(23)19-16(24)11-22(2,3)12-17(19)25/h5-8,19-20H,4,9-13H2,1-3H3