3-(4-tert-butyl-3-ethenyl-5-fluoranyl-phenyl)carbonyl-1-methyl-4-(pyrazol-1-ylmethyl)-2-(1,3-thiazol-2-yl)imidazolidine-4-carboxylic acid

Systemtic Name: 3-(4-tert-butyl-3-ethenyl-5-fluoranyl-phenyl)carbonyl-1-methyl-4-(pyrazol-1-ylmethyl)-2-(1,3-thiazol-2-yl)imidazolidine-4-carboxylic acid Openeye Name: 3-(4-tert-butyl-3-fluoro-5-vinyl-benzoyl)-1-methyl-4-(pyrazol-1-ylmethyl)-2-thiazol-2-yl-imidazolidine-4-carboxylic acid CAS Name: 3-[(4-tert-butyl-3-ethenyl-5-fluorophenyl)-oxomethyl]-1-methyl-4-(1-pyrazolylmethyl)-2-(2-thiazolyl)-4-imidazolidinecarboxylic acid IUPAC Name: 3-(4-tert-butyl-3-ethenyl-5-fluorobenzoyl)-1-methyl-4-(pyrazol-1-ylmethyl)-2-(1,3-thiazol-2-yl)imidazolidine-4-carboxylic acid Traditional Name: 3-(4-tert-butyl-3-fluoro-5-vinyl-benzoyl)-1-methyl-4-(pyrazol-1-ylmethyl)-2-thiazol-2-yl-imidazolidine-4-carboxylic acid Formula: C25H28FN5O3S MolecularWeight: 497.584923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1F)C(=O)N2C(N(CC2(CN3C=CC=N3)C(=O)O)C)C4=NC=CS4)C=C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1F)C(=O)N2C(N(CC2(CN3C=CC=N3)C(=O)O)C)C4=NC=CS4)C=C

InChI

InChI=1S/C25H28FN5O3S/c1-6-16-12-17(13-18(26)19(16)24(2,3)4)22(32)31-21(20-27-9-11-35-20)29(5)14-25(31,23(33)34)15-30-10-7-8-28-30/h6-13,21H,1,14-15H2,2-5H3,(H,33,34)