ethyl 4-oxidanylidene-4-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-butanoate Openeye Name: ethyl 4-oxo-4-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-butanoate CAS Name: 4-oxo-4-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylbutanoate Traditional Name: 4-keto-4-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]butyric acid ethyl ester Formula: C23H26NO5S+ MolecularWeight: 428.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)S[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(=O)S[N+]1(CCCC1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H26NO5S/c1-2-28-22(26)14-15-23(27)30-24(16-6-9-21(24)25)17-18-10-12-20(13-11-18)29-19-7-4-3-5-8-19/h3-5,7-8,10-13H,2,6,9,14-17H2,1H3/q+1