14-oxidanylidene-13-(sulfanylmethyl)-1-azacyclotetradecane-2-carboxylic acid

Systemtic Name: 14-oxidanylidene-13-(sulfanylmethyl)-1-azacyclotetradecane-2-carboxylic acid Openeye Name: 14-oxo-13-(sulfanylmethyl)-azacyclotetradecane-2-carboxylic acid CAS Name: 13-(mercaptomethyl)-14-oxo-azacyclotetradecane-2-carboxylic acid IUPAC Name: 14-oxo-13-(sulfanylmethyl)-azacyclotetradecane-2-carboxylic acid Traditional Name: 14-keto-13-(mercaptomethyl)-azacyclotetradecane-2-carboxylic acid Formula: C15H27NO3S MolecularWeight: 301.44478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(NC(=O)C(CCCC1)CS)C(=O)O

Isomeric SMILES

C1CCCCCC(NC(=O)C(CCCC1)CS)C(=O)O

InChI

InChI=1S/C15H27NO3S/c17-14-12(11-20)9-7-5-3-1-2-4-6-8-10-13(16-14)15(18)19/h12-13,20H,1-11H2,(H,16,17)(H,18,19)