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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1C(CC2=CC=CC=C2C1C3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C(CC2=CC=CC=C2C1C3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C24H27NO6S/c1-14(13-32-15(2)26)23(27)25-19(24(28)29)11-16-7-5-6-8-18(16)22(25)17-9-10-20(30-3)21(12-17)31-4/h5-10,12,14,19,22H,11,13H2,1-4H3,(H,28,29)