ethyl 1-cyclopentyl-1-(1-ethanoylsulfanyl-3-phenyl-propyl)-2,5-bis(oxidanylidene)imidazolidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-cyclopentyl-1-(1-ethanoylsulfanyl-3-phenyl-propyl)-2,5-bis(oxidanylidene)imidazolidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1-acetylsulfanyl-3-phenyl-propyl)-1-cyclopentyl-2,5-dioxo-imidazolidin-1-ium-4-carboxylate CAS Name: 1-[1-(acetylthio)-3-phenylpropyl]-1-cyclopentyl-2,5-dioxo-4-imidazolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-acetylsulfanyl-3-phenylpropyl)-1-cyclopentyl-2,5-dioxoimidazolidin-1-ium-4-carboxylate Traditional Name: 1-[1-(acetylthio)-3-phenyl-propyl]-1-cyclopentyl-2,5-diketo-imidazolidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H29N2O5S+ MolecularWeight: 433.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)[N+](C(=O)N1)(C2CCCC2)C(CCC3=CC=CC=C3)SC(=O)C

Isomeric SMILES

CCOC(=O)C1C(=O)[N+](C(=O)N1)(C2CCCC2)C(CCC3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-3-29-21(27)19-20(26)24(22(28)23-19,17-11-7-8-12-17)18(30-15(2)25)14-13-16-9-5-4-6-10-16/h4-6,9-10,17-19H,3,7-8,11-14H2,1-2H3/p+1