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

Systemtic Name: 2-[2-[2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[2-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]thiazole-4-carboxylic acid CAS Name: 2-[2-[2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxo-1-pyrrolidinyl]ethylthio]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[2-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-5-keto-pyrrolidino]ethylthio]thiazole-4-carboxylic acid Formula: C20H22N2O5S2 MolecularWeight: 434.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CC(COC2=CC=CC=C2)O)CCSC3=NC(=CS3)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1/C=C/C(COC2=CC=CC=C2)O)CCSC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C20H22N2O5S2/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/h1-6,8,13-15,23H,7,9-12H2,(H,25,26)/b8-6+