ethyl [2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]carbamothioyl carbonate

Systemtic Name: ethyl [2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]carbamothioyl carbonate Openeye Name: ethyl [2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]carbamothioyl carbonate CAS Name: carbonic acid ethyl [[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]amino]-sulfanylidenemethyl] ester IUPAC Name: ethyl [2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]carbamothioyl carbonate Traditional Name: carbonic acid ethyl [2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]thiocarbamoyl ester Formula: C21H23N2O5S+ MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-2-26-21(25)28-20(29)22-23(14-6-9-19(23)24)15-16-10-12-18(13-11-16)27-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3/p+1