2-[2-(2-ethylsulfanylcarbonylsulfanylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione

Systemtic Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione Openeye Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione CAS Name: 2-[2-[2-[[(ethylthio)-oxomethyl]thio]-1-oxoethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione IUPAC Name: 2-[2-(2-ethylsulfanylcarbonylsulfanylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-dione Traditional Name: 2-[2-[2-[(ethylthio)carbonylthio]acetyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexane-1,3-quinone Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)SCC(=O)N1CCC2=C(C1C3C(=O)CCCC3=O)C=CC(=C2)OC

Isomeric SMILES

CCSC(=O)SCC(=O)N1CCC2=C(C1C3C(=O)CCCC3=O)C=CC(=C2)OC

InChI

InChI=1S/C21H25NO5S2/c1-3-28-21(26)29-12-18(25)22-10-9-13-11-14(27-2)7-8-15(13)20(22)19-16(23)5-4-6-17(19)24/h7-8,11,19-20H,3-6,9-10,12H2,1-2H3