2-[(1S)-2-(2-ethoxycarbothioylsulfanylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[(1S)-2-(2-ethoxycarbothioylsulfanylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(1S)-2-(2-ethoxycarbothioylsulfanylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[(1S)-2-[2-[[ethoxy(sulfanylidene)methyl]thio]-1-oxoethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(1S)-2-(2-ethoxycarbothioylsulfanylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[(1S)-2-[2-(ethoxycarbothioylthio)acetyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C24H30NO6S2- MolecularWeight: 492.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)N1CCC2=CC(=C(C=C2C1C3=C(CC(CC3=O)(C)C)[O-])OC)OC

Isomeric SMILES

CCOC(=S)SCC(=O)N1CCC2=CC(=C(C=C2[C@H]1C3=C(CC(CC3=O)(C)C)[O-])OC)OC

InChI

InChI=1S/C24H31NO6S2/c1-6-31-23(32)33-13-20(28)25-8-7-14-9-18(29-4)19(30-5)10-15(14)22(25)21-16(26)11-24(2,3)12-17(21)27/h9-10,22,26H,6-8,11-13H2,1-5H3/p-1/t22-/m0/s1