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

Systemtic Name: 2-[2-[2-[(E)-4-cyclohexyloxy-3-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[2-[(E)-4-(cyclohexoxy)-3-hydroxy-but-1-enyl]-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]thiazole-4-carboxylic acid CAS Name: 2-[2-[2-[(E)-4-cyclohexyloxy-3-hydroxybut-1-enyl]-5-oxo-1-pyrrolidinyl]ethylthio]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-[(E)-4-cyclohexyloxy-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[2-[(E)-4-(cyclohexoxy)-3-hydroxy-but-1-enyl]-5-keto-pyrrolidino]ethylthio]thiazole-4-carboxylic acid Formula: C20H28N2O5S2 MolecularWeight: 440.57672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCC(C=CC2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)OCC(/C=C/C2CCC(=O)N2CCSC3=NC(=CS3)C(=O)O)O

InChI

InChI=1S/C20H28N2O5S2/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/h6,8,13-16,23H,1-5,7,9-12H2,(H,25,26)/b8-6+