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

Systemtic Name: O-ethyl [2-oxidanylidene-2-[(1R)-1-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-[(1R)-1-(2-hydroxy-6-oxo-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[(1R)-1-(2-hydroxy-6-oxo-1-cyclohexenyl)-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)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[(1R)-1-(2-hydroxy-6-keto-cyclohexen-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]methanethioic acid O-ethyl ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S2/c1-2-25-20(26)27-12-17(24)21-11-10-13-6-3-4-7-14(13)19(21)18-15(22)8-5-9-16(18)23/h3-4,6-7,19,22H,2,5,8-12H2,1H3/t19-/m1/s1