2-[2-(2-ethylsulfanylcarbonylsulfanylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-[2-[[(ethylthio)-oxomethyl]thio]-1-oxoethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-[2-[(ethylthio)carbonylthio]acetyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C24H31NO6S2 MolecularWeight: 493.63604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6S2/c1-6-32-23(29)33-13-20(28)25-8-7-14-9-18(30-4)19(31-5)10-15(14)22(25)21-16(26)11-24(2,3)12-17(21)27/h9-10,21-22H,6-8,11-13H2,1-5H3