[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)C3=CC=CC=C3SCC4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)C3=CC=CC=C3SCC4=CC=CO4)OC

InChI

InChI=1S/C25H25NO6S/c1-29-21-12-17-9-10-26(14-18(17)13-22(21)30-2)24(27)15-32-25(28)20-7-3-4-8-23(20)33-16-19-6-5-11-31-19/h3-8,11-13H,9-10,14-16H2,1-2H3