O-ethyl [2-[(1R)-6,7-dimethoxy-1-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-[(1R)-6,7-dimethoxy-1-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-[(1R)-1-(2-hydroxy-6-oxo-cyclohexen-1-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[(1R)-1-(2-hydroxy-6-oxo-1-cyclohexenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-[(1R)-1-(2-hydroxy-6-oxocyclohexen-1-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[(1R)-1-(2-hydroxy-6-keto-cyclohexen-1-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]methanethioic acid O-ethyl ester Formula: C22H27NO6S2 MolecularWeight: 465.58288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)N1CCC2=CC(=C(C=C2C1C3=C(CCCC3=O)O)OC)OC

Isomeric SMILES

CCOC(=S)SCC(=O)N1CCC2=CC(=C(C=C2[C@@H]1C3=C(CCCC3=O)O)OC)OC

InChI

InChI=1S/C22H27NO6S2/c1-4-29-22(30)31-12-19(26)23-9-8-13-10-17(27-2)18(28-3)11-14(13)21(23)20-15(24)6-5-7-16(20)25/h10-11,21,24H,4-9,12H2,1-3H3/t21-/m1/s1