2-[(1S)-6,7-dimethoxy-2-(2-morpholin-4-ylcarbothioylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[(1S)-6,7-dimethoxy-2-(2-morpholin-4-ylcarbothioylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(1S)-6,7-dimethoxy-2-[2-(morpholine-4-carbothioylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxo-cyclohexen-1-olate CAS Name: 2-[(1S)-6,7-dimethoxy-2-[2-[[4-morpholinyl(sulfanylidene)methyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(1S)-6,7-dimethoxy-2-[2-(morpholine-4-carbothioylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxocyclohexen-1-olate Traditional Name: 2-[(1S)-6,7-dimethoxy-2-[2-(morpholine-4-carbothioylthio)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-keto-cyclohexen-1-olate Formula: C24H29N2O6S2- MolecularWeight: 505.62686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC(=S)N3CCOCC3)C4=C(CCCC4=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)CSC(=S)N3CCOCC3)C4=C(CCCC4=O)[O-])OC

InChI

InChI=1S/C24H30N2O6S2/c1-30-19-12-15-6-7-26(21(29)14-34-24(33)25-8-10-32-11-9-25)23(16(15)13-20(19)31-2)22-17(27)4-3-5-18(22)28/h12-13,23,27H,3-11,14H2,1-2H3/p-1/t23-/m0/s1