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

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

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

Isomeric SMILES

CCCCCC(C)(C/C=C/C1CCC(=O)C1CCSC2=NC(=CS2)C(=O)O)O

InChI

InChI=1S/C21H31NO4S2/c1-3-4-5-11-21(2,26)12-6-7-15-8-9-18(23)16(15)10-13-27-20-22-17(14-28-20)19(24)25/h6-7,14-16,26H,3-5,8-13H2,1-2H3,(H,24,25)/b7-6+