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

Systemtic Name: 9-(ethanoylsulfanylmethyl)-10-oxidanylidene-azecane-2-carboxylic acid Openeye Name: 9-(acetylsulfanylmethyl)-10-oxo-azecane-2-carboxylic acid CAS Name: 9-[(acetylthio)methyl]-10-oxo-2-azecanecarboxylic acid IUPAC Name: 9-(acetylsulfanylmethyl)-10-oxoazecane-2-carboxylic acid Traditional Name: 9-[(acetylthio)methyl]-10-keto-azecane-2-carboxylic acid Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)O

Isomeric SMILES

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)O

InChI

InChI=1S/C13H21NO4S/c1-9(15)19-8-10-6-4-2-3-5-7-11(13(17)18)14-12(10)16/h10-11H,2-8H2,1H3,(H,14,16)(H,17,18)