ethyl 4-[4-[(4-ethanoylsulfanyl-2-oxidanylidene-pyrrolidin-1-yl)methyl]phenoxy]benzoate

Systemtic Name: ethyl 4-[4-[(4-ethanoylsulfanyl-2-oxidanylidene-pyrrolidin-1-yl)methyl]phenoxy]benzoate Openeye Name: ethyl 4-[4-[(4-acetylsulfanyl-2-oxo-pyrrolidin-1-yl)methyl]phenoxy]benzoate CAS Name: 4-[4-[[4-(acetylthio)-2-oxo-1-pyrrolidinyl]methyl]phenoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)methyl]phenoxy]benzoate Traditional Name: 4-[4-[[4-(acetylthio)-2-keto-pyrrolidino]methyl]phenoxy]benzoic acid ethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)SC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)SC(=O)C

InChI

InChI=1S/C22H23NO5S/c1-3-27-22(26)17-6-10-19(11-7-17)28-18-8-4-16(5-9-18)13-23-14-20(12-21(23)25)29-15(2)24/h4-11,20H,3,12-14H2,1-2H3