methyl (1R,3S)-3-[(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,3S)-3-[(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate Openeye Name: methyl (1R,3S)-3-[(4-butyl-2-tert-butyl-isothiazol-5-ylidene)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: (1R,3S)-3-[[(4-butyl-2-tert-butyl-5-isothiazolylidene)amino]-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-[(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: (1R,3S)-3-[(4-butyl-2-tert-butyl-3-isothiazolin-5-ylidene)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid methyl ester Formula: C22H36N2O3S MolecularWeight: 408.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(SC1=NC(=O)C2CCC(C2(C)C)(C)C(=O)OC)C(C)(C)C

Isomeric SMILES

CCCCC1=CN(SC1=NC(=O)[C@H]2CC[C@@](C2(C)C)(C)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C22H36N2O3S/c1-9-10-11-15-14-24(20(2,3)4)28-18(15)23-17(25)16-12-13-22(7,19(26)27-8)21(16,5)6/h14,16H,9-13H2,1-8H3/t16-,22+/m1/s1