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

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Openeye Name: 2-(2-methyl-3-sulfanyl-propanoyl)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropyl)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid IUPAC Name: 2-(2-methyl-3-sulfanylpropanoyl)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Traditional Name: 3-keto-2-(3-mercapto-2-methyl-propanoyl)-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-7(6-19)11(15)14-10(13(17)18)8-4-2-3-5-9(8)12(14)16/h7-10,19H,2-6H2,1H3,(H,17,18)