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

Systemtic Name: O-ethyl [2-[(1S)-6-methoxy-1-(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-6-oxo-cyclohexen-1-yl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[(1S)-1-(2-hydroxy-6-oxo-1-cyclohexenyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-[(1S)-1-(2-hydroxy-6-oxocyclohexen-1-yl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[(1S)-1-(2-hydroxy-6-keto-cyclohexen-1-yl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]methanethioic acid O-ethyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)N1CCC2=C(C1C3=C(CCCC3=O)O)C=CC(=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S2/c1-3-27-21(28)29-12-18(25)22-10-9-13-11-14(26-2)7-8-15(13)20(22)19-16(23)5-4-6-17(19)24/h7-8,11,20,23H,3-6,9-10,12H2,1-2H3/t20-/m0/s1