2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]-3-keto-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1C(C2CCCCC2C1=O)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C(C2CCCCC2C1=O)C(=O)O

InChI

InChI=1S/C15H21NO5S/c1-8(7-22-9(2)17)13(18)16-12(15(20)21)10-5-3-4-6-11(10)14(16)19/h8,10-12H,3-7H2,1-2H3,(H,20,21)