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

Systemtic Name: (phenylmethyl) (3R)-6-(ethanoylsulfanylmethyl)-5-oxidanylidene-1-thia-4-azacyclotetradecane-3-carboxylate Openeye Name: benzyl (3R)-6-(acetylsulfanylmethyl)-5-oxo-1-thia-4-azacyclotetradecane-3-carboxylate CAS Name: (3R)-6-[(acetylthio)methyl]-5-oxo-1-thia-4-azacyclotetradecane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-6-(acetylsulfanylmethyl)-5-oxo-1-thia-4-azacyclotetradecane-3-carboxylate Traditional Name: (3R)-6-[(acetylthio)methyl]-5-keto-1-thia-4-azacyclotetradecane-3-carboxylic acid benzyl ester Formula: C23H33NO4S2 MolecularWeight: 451.64242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCCCSCC(NC1=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC1CCCCCCCCSC[C@H](NC1=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H33NO4S2/c1-18(25)30-16-20-13-9-4-2-3-5-10-14-29-17-21(24-22(20)26)23(27)28-15-19-11-7-6-8-12-19/h6-8,11-12,20-21H,2-5,9-10,13-17H2,1H3,(H,24,26)/t20?,21-/m0/s1