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

Systemtic Name: 3-oxidanylidene-2-(3-sulfanylpropanoyl)-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Openeye Name: 3-oxo-2-(3-sulfanylpropanoyl)-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid IUPAC Name: 3-oxo-2-(3-sulfanylpropanoyl)-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Traditional Name: 3-keto-2-(3-mercaptopropanoyl)-3a,4,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(N(C2=O)C(=O)CCS)C(=O)O

Isomeric SMILES

C1CCC2C(C1)C(N(C2=O)C(=O)CCS)C(=O)O

InChI

InChI=1S/C12H17NO4S/c14-9(5-6-18)13-10(12(16)17)7-3-1-2-4-8(7)11(13)15/h7-8,10,18H,1-6H2,(H,16,17)