tert-butyl 6-(2-methoxyethoxymethoxy)-1-[[2-(2-sulfanylethylsulfanyl)ethanoylamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-(2-methoxyethoxymethoxy)-1-[[2-(2-sulfanylethylsulfanyl)ethanoylamino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-(2-methoxyethoxymethoxy)-1-[[[2-(2-sulfanylethylsulfanyl)acetyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[[2-(2-mercaptoethylthio)-1-oxoethyl]amino]methyl]-6-(2-methoxyethoxymethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-methoxyethoxymethoxy)-1-[[[2-(2-sulfanylethylsulfanyl)acetyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[[[2-(2-mercaptoethylthio)acetyl]amino]methyl]-6-(2-methoxyethoxymethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H36N2O6S2 MolecularWeight: 500.67174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1CNC(=O)CSCCS)C=CC(=C2)OCOCCOC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1CNC(=O)CSCCS)C=CC(=C2)OCOCCOC

InChI

InChI=1S/C23H36N2O6S2/c1-23(2,3)31-22(27)25-8-7-17-13-18(30-16-29-10-9-28-4)5-6-19(17)20(25)14-24-21(26)15-33-12-11-32/h5-6,13,20,32H,7-12,14-16H2,1-4H3,(H,24,26)