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

Systemtic Name: O-ethyl [2-[(1S)-1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-[(1S)-1-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[(1S)-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-[(1S)-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[(1S)-1-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]methanethioic acid O-ethyl ester Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)N1CCC2=CC=CC=C2C1C3=C(CC(CC3=O)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S2/c1-4-27-21(28)29-13-18(26)23-10-9-14-7-5-6-8-15(14)20(23)19-16(24)11-22(2,3)12-17(19)25/h5-8,20,24H,4,9-13H2,1-3H3/t20-/m0/s1