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

Systemtic Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione Openeye Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione CAS Name: 2-[2-[2-[[(ethylthio)-oxomethyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione IUPAC Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione Traditional Name: 2-[2-[2-[(ethylthio)carbonylthio]acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-quinone Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)SCC(=O)N1CCC2=CC=CC=C2C1C3C(=O)CCCC3=O

Isomeric SMILES

CCSC(=O)SCC(=O)N1CCC2=CC=CC=C2C1C3C(=O)CCCC3=O

InChI

InChI=1S/C20H23NO4S2/c1-2-26-20(25)27-12-17(24)21-11-10-13-6-3-4-7-14(13)19(21)18-15(22)8-5-9-16(18)23/h3-4,6-7,18-19H,2,5,8-12H2,1H3