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

Systemtic Name: 2-[(1S)-2-(2-ethoxycarbothioylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(1S)-2-(2-ethoxycarbothioylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxo-cyclohexen-1-olate CAS Name: 2-[(1S)-2-[2-[[ethoxy(sulfanylidene)methyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(1S)-2-(2-ethoxycarbothioylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxocyclohexen-1-olate Traditional Name: 2-[(1S)-2-[2-(ethoxycarbothioylthio)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-keto-cyclohexen-1-olate Formula: C20H22NO4S2- MolecularWeight: 404.52298

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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/p-1/t19-/m0/s1