S-[[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]oxycarbonylamino] ethanethioate

Systemtic Name: S-[[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]oxycarbonylamino] ethanethioate Openeye Name: S-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]oxycarbonylamino] ethanethioate CAS Name: ethanethioic acid S-[[oxo-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]oxy]methyl]amino] ester IUPAC Name: S-[[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]oxycarbonylamino] ethanethioate Traditional Name: ethanethioic acid S-[[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl]oxycarbonylamino] ester Formula: C20H21N2O5S+ MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-15(23)28-21-20(25)27-22(13-5-8-19(22)24)14-16-9-11-18(12-10-16)26-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3/p+1