6-(ethanoylsulfanylmethyl)-5-oxidanylidene-1-thia-4-azacyclotetradecane-3-carboxylate

Systemtic Name: 6-(ethanoylsulfanylmethyl)-5-oxidanylidene-1-thia-4-azacyclotetradecane-3-carboxylate Openeye Name: 6-(acetylsulfanylmethyl)-5-oxo-1-thia-4-azacyclotetradecane-3-carboxylate CAS Name: 6-[(acetylthio)methyl]-5-oxo-1-thia-4-azacyclotetradecane-3-carboxylate IUPAC Name: 6-(acetylsulfanylmethyl)-5-oxo-1-thia-4-azacyclotetradecane-3-carboxylate Traditional Name: 6-[(acetylthio)methyl]-5-keto-1-thia-4-azacyclotetradecane-3-carboxylate Formula: C16H26NO4S2- MolecularWeight: 360.51194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCCCSCC(NC1=O)C(=O)[O-]

Isomeric SMILES

CC(=O)SCC1CCCCCCCCSCC(NC1=O)C(=O)[O-]

InChI

InChI=1S/C16H27NO4S2/c1-12(18)23-10-13-8-6-4-2-3-5-7-9-22-11-14(16(20)21)17-15(13)19/h13-14H,2-11H2,1H3,(H,17,19)(H,20,21)/p-1