tert-butyl 3-oxidanylidene-3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-propanoate

Systemtic Name: tert-butyl 3-oxidanylidene-3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-propanoate Openeye Name: tert-butyl 3-oxo-3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-propanoate CAS Name: 3-oxo-3-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-3-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanylpropanoate Traditional Name: 3-keto-3-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thio]propionic acid tert-butyl ester Formula: C24H28NO5S+ MolecularWeight: 442.54782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28NO5S/c1-24(2,3)30-22(27)16-23(28)31-25(15-7-10-21(25)26)17-18-11-13-20(14-12-18)29-19-8-5-4-6-9-19/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3/q+1