2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]-1-keto-3,4-dihydroisoquinoline-3-carboxylic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1C(CC2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C(CC2=CC=CC=C2C1=O)C(=O)O

InChI

InChI=1S/C16H17NO5S/c1-9(8-23-10(2)18)14(19)17-13(16(21)22)7-11-5-3-4-6-12(11)15(17)20/h3-6,9,13H,7-8H2,1-2H3,(H,21,22)