3-[(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)carbamoyl]-2,2,3-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-[(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)carbamoyl]-2,2,3-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-[(4-butyl-2-tert-butyl-isothiazol-5-ylidene)carbamoyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[[(4-butyl-2-tert-butyl-5-isothiazolylidene)amino]-oxomethyl]-2,2,3-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)carbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-[(4-butyl-2-tert-butyl-3-isothiazolin-5-ylidene)carbamoyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(SC1=NC(=O)C2(CCC(C2(C)C)C(=O)O)C)C(C)(C)C

Isomeric SMILES

CCCCC1=CN(SC1=NC(=O)C2(CCC(C2(C)C)C(=O)O)C)C(C)(C)C

InChI

InChI=1S/C21H34N2O3S/c1-8-9-10-14-13-23(19(2,3)4)27-16(14)22-18(26)21(7)12-11-15(17(24)25)20(21,5)6/h13,15H,8-12H2,1-7H3,(H,24,25)