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

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]-3-keto-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-8(16)21-7-6-11(17)15-12(14(19)20)9-4-2-3-5-10(9)13(15)18/h9-10,12H,2-7H2,1H3,(H,19,20)