2-[2-[2-oxidanylidene-5-(3-oxidanyl-4-phenoxy-butyl)pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-[2-oxidanylidene-5-(3-oxidanyl-4-phenoxy-butyl)pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[2-(3-hydroxy-4-phenoxy-butyl)-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]thiazole-4-carboxylic acid CAS Name: 2-[2-[2-(3-hydroxy-4-phenoxybutyl)-5-oxo-1-pyrrolidinyl]ethylthio]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-(3-hydroxy-4-phenoxybutyl)-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[2-(3-hydroxy-4-phenoxy-butyl)-5-keto-pyrrolidino]ethylthio]thiazole-4-carboxylic acid Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CCC(COC2=CC=CC=C2)O)CCSC3=NC(=CS3)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1CCC(COC2=CC=CC=C2)O)CCSC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C20H24N2O5S2/c23-15(12-27-16-4-2-1-3-5-16)8-6-14-7-9-18(24)22(14)10-11-28-20-21-17(13-29-20)19(25)26/h1-5,13-15,23H,6-12H2,(H,25,26)