(phenylmethyl) 1-[9-(ethanoylsulfanylmethyl)-10-oxidanylidene-azecan-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[9-(ethanoylsulfanylmethyl)-10-oxidanylidene-azecan-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl 1-[9-(acetylsulfanylmethyl)-10-oxo-azecane-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[9-[(acetylthio)methyl]-10-oxo-2-azecanyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[9-[(acetylthio)methyl]-10-keto-azecane-2-carbonyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O5S/c1-18(28)33-17-20-12-7-2-3-8-13-21(26-23(20)29)24(30)27-15-9-14-22(27)25(31)32-16-19-10-5-4-6-11-19/h4-6,10-11,20-22H,2-3,7-9,12-17H2,1H3,(H,26,29)