(phenylmethyl) 9-(ethanoylsulfanylmethyl)-10-oxidanylidene-azecane-2-carboxylate

Systemtic Name: (phenylmethyl) 9-(ethanoylsulfanylmethyl)-10-oxidanylidene-azecane-2-carboxylate Openeye Name: benzyl 9-(acetylsulfanylmethyl)-10-oxo-azecane-2-carboxylate CAS Name: 9-[(acetylthio)methyl]-10-oxo-2-azecanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(acetylsulfanylmethyl)-10-oxoazecane-2-carboxylate Traditional Name: 9-[(acetylthio)methyl]-10-keto-azecane-2-carboxylic acid benzyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO4S/c1-15(22)26-14-17-11-7-2-3-8-12-18(21-19(17)23)20(24)25-13-16-9-5-4-6-10-16/h4-6,9-10,17-18H,2-3,7-8,11-14H2,1H3,(H,21,23)