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

Systemtic Name: 2-[(1R)-6,7-dimethoxy-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(1R)-6,7-dimethoxy-2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[(1R)-6,7-dimethoxy-2-[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(1R)-6,7-dimethoxy-2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[(1R)-6,7-dimethoxy-2-[2-(pyrrolidine-1-carbothioylthio)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C26H33N2O5S2- MolecularWeight: 517.68062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)CSC(=S)N4CCCC4)OC)OC)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[C@H]2C3=CC(=C(C=C3CCN2C(=O)CSC(=S)N4CCCC4)OC)OC)[O-])C

InChI

InChI=1S/C26H34N2O5S2/c1-26(2)13-18(29)23(19(30)14-26)24-17-12-21(33-4)20(32-3)11-16(17)7-10-28(24)22(31)15-35-25(34)27-8-5-6-9-27/h11-12,24,29H,5-10,13-15H2,1-4H3/p-1/t24-/m1/s1