2-[(1R)-2-(2-ethoxycarbothioylsulfanylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[(1R)-2-(2-ethoxycarbothioylsulfanylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(1R)-2-(2-ethoxycarbothioylsulfanylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxo-cyclohexen-1-olate CAS Name: 2-[(1R)-2-[2-[[ethoxy(sulfanylidene)methyl]thio]-1-oxoethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(1R)-2-(2-ethoxycarbothioylsulfanylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxocyclohexen-1-olate Traditional Name: 2-[(1R)-2-[2-(ethoxycarbothioylthio)acetyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]-3-keto-cyclohexen-1-olate Formula: C21H24NO5S2- MolecularWeight: 434.54896

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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/p-1/t20-/m1/s1