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

Systemtic Name: ethyl 3-oxidanylidene-3-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]sulfanyl-propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H24NO5S+ MolecularWeight: 414.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24NO5S/c1-2-27-21(25)15-22(26)29-23(14-6-9-20(23)24)16-17-10-12-19(13-11-17)28-18-7-4-3-5-8-18/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3/q+1