4-[4-[(4-ethanoylsulfanyl-2-oxidanylidene-pyrrolidin-1-yl)methyl]phenoxy]benzoic acid

Systemtic Name: 4-[4-[(4-ethanoylsulfanyl-2-oxidanylidene-pyrrolidin-1-yl)methyl]phenoxy]benzoic acid Openeye Name: 4-[4-[(4-acetylsulfanyl-2-oxo-pyrrolidin-1-yl)methyl]phenoxy]benzoic acid CAS Name: 4-[4-[[4-(acetylthio)-2-oxo-1-pyrrolidinyl]methyl]phenoxy]benzoic acid IUPAC Name: 4-[4-[(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)methyl]phenoxy]benzoic acid Traditional Name: 4-[4-[[4-(acetylthio)-2-keto-pyrrolidino]methyl]phenoxy]benzoic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19NO5S/c1-13(22)27-18-10-19(23)21(12-18)11-14-2-6-16(7-3-14)26-17-8-4-15(5-9-17)20(24)25/h2-9,18H,10-12H2,1H3,(H,24,25)