5-oxidanylidene-6-(sulfanylmethyl)-1,4-thiazecane-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-6-(sulfanylmethyl)-1,4-thiazecane-3-carboxylic acid Openeye Name: 5-oxo-6-(sulfanylmethyl)-1,4-thiazecane-3-carboxylic acid CAS Name: 6-(mercaptomethyl)-5-oxo-1,4-thiazecane-3-carboxylic acid IUPAC Name: 5-oxo-6-(sulfanylmethyl)-1,4-thiazecane-3-carboxylic acid Traditional Name: 5-keto-6-(mercaptomethyl)-1,4-thiazecane-3-carboxylic acid Formula: C10H17NO3S2 MolecularWeight: 263.37688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSCC(NC(=O)C(C1)CS)C(=O)O

Isomeric SMILES

C1CCSCC(NC(=O)C(C1)CS)C(=O)O

InChI

InChI=1S/C10H17NO3S2/c12-9-7(5-15)3-1-2-4-16-6-8(11-9)10(13)14/h7-8,15H,1-6H2,(H,11,12)(H,13,14)