[2-oxidanylidene-2-[(1S)-1-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl] morpholine-4-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[(1S)-1-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl] morpholine-4-carbodithioate Openeye Name: [2-[(1S)-1-(2-hydroxy-6-oxo-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic acid [2-[(1S)-1-(2-hydroxy-6-oxo-1-cyclohexenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(1S)-1-(2-hydroxy-6-oxocyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [2-[(1S)-1-(2-hydroxy-6-keto-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl] ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C2C3=CC=CC=C3CCN2C(=O)CSC(=S)N4CCOCC4)O

Isomeric SMILES

C1CC(=C(C(=O)C1)[C@@H]2C3=CC=CC=C3CCN2C(=O)CSC(=S)N4CCOCC4)O

InChI

InChI=1S/C22H26N2O4S2/c25-17-6-3-7-18(26)20(17)21-16-5-2-1-4-15(16)8-9-24(21)19(27)14-30-22(29)23-10-12-28-13-11-23/h1-2,4-5,21,25H,3,6-14H2/t21-/m0/s1