6-(ethanoylsulfanylmethyl)-5-oxidanylidene-1-thia-4-azacyclotridecane-3-carboxylic acid

Systemtic Name: 6-(ethanoylsulfanylmethyl)-5-oxidanylidene-1-thia-4-azacyclotridecane-3-carboxylic acid Openeye Name: 6-(acetylsulfanylmethyl)-5-oxo-1-thia-4-azacyclotridecane-3-carboxylic acid CAS Name: 6-[(acetylthio)methyl]-5-oxo-1-thia-4-azacyclotridecane-3-carboxylic acid IUPAC Name: 6-(acetylsulfanylmethyl)-5-oxo-1-thia-4-azacyclotridecane-3-carboxylic acid Traditional Name: 6-[(acetylthio)methyl]-5-keto-1-thia-4-azacyclotridecane-3-carboxylic acid Formula: C15H25NO4S2 MolecularWeight: 347.4933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCCSCC(NC1=O)C(=O)O

Isomeric SMILES

CC(=O)SCC1CCCCCCCSCC(NC1=O)C(=O)O

InChI

InChI=1S/C15H25NO4S2/c1-11(17)22-9-12-7-5-3-2-4-6-8-21-10-13(15(19)20)16-14(12)18/h12-13H,2-10H2,1H3,(H,16,18)(H,19,20)