10-oxidanylidene-9-(sulfanylmethyl)azecane-2-carboxylic acid

Systemtic Name: 10-oxidanylidene-9-(sulfanylmethyl)azecane-2-carboxylic acid Openeye Name: 10-oxo-9-(sulfanylmethyl)azecane-2-carboxylic acid CAS Name: 9-(mercaptomethyl)-10-oxo-2-azecanecarboxylic acid IUPAC Name: 10-oxo-9-(sulfanylmethyl)azecane-2-carboxylic acid Traditional Name: 10-keto-9-(mercaptomethyl)azecane-2-carboxylic acid Formula: C11H19NO3S MolecularWeight: 245.33846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(NC(=O)C(CC1)CS)C(=O)O

Isomeric SMILES

C1CCCC(NC(=O)C(CC1)CS)C(=O)O

InChI

InChI=1S/C11H19NO3S/c13-10-8(7-16)5-3-1-2-4-6-9(12-10)11(14)15/h8-9,16H,1-7H2,(H,12,13)(H,14,15)