2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC2=CC(=C(C=C2CC1C(=O)O)OC)OC

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC2=CC(=C(C=C2CC1C(=O)O)OC)OC

InChI

InChI=1S/C18H23NO6S/c1-10(9-26-11(2)20)17(21)19-8-13-7-16(25-4)15(24-3)6-12(13)5-14(19)18(22)23/h6-7,10,14H,5,8-9H2,1-4H3,(H,22,23)