2-[2-[2-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-5-oxidanylidene-cyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-[2-[(E)-5-methyl-3-oxidanyl-non-1-enyl]-5-oxidanylidene-cyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[2-[(E)-3-hydroxy-5-methyl-non-1-enyl]-5-oxo-cyclopentyl]ethylsulfanyl]thiazole-4-carboxylic acid CAS Name: 2-[2-[2-[(E)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]ethylthio]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[2-[(E)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[2-[(E)-3-hydroxy-5-methyl-non-1-enyl]-5-keto-cyclopentyl]ethylthio]thiazole-4-carboxylic acid Formula: C21H31NO4S2 MolecularWeight: 425.60514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C=CC1CCC(=O)C1CCSC2=NC(=CS2)C(=O)O)O

Isomeric SMILES

CCCCC(C)CC(/C=C/C1CCC(=O)C1CCSC2=NC(=CS2)C(=O)O)O

InChI

InChI=1S/C21H31NO4S2/c1-3-4-5-14(2)12-16(23)8-6-15-7-9-19(24)17(15)10-11-27-21-22-18(13-28-21)20(25)26/h6,8,13-17,23H,3-5,7,9-12H2,1-2H3,(H,25,26)/b8-6+