3-cyclopentyl-5-(propanoylamino)-2-[4-(trifluoromethylsulfonyl)phenyl]-2H-1,3-thiazole-4-carboxylic acid

Systemtic Name: 3-cyclopentyl-5-(propanoylamino)-2-[4-(trifluoromethylsulfonyl)phenyl]-2H-1,3-thiazole-4-carboxylic acid Openeye Name: 3-cyclopentyl-5-(propanoylamino)-2-[4-(trifluoromethylsulfonyl)phenyl]-2H-thiazole-4-carboxylic acid CAS Name: 3-cyclopentyl-5-(1-oxopropylamino)-2-[4-(trifluoromethylsulfonyl)phenyl]-2H-thiazole-4-carboxylic acid IUPAC Name: 3-cyclopentyl-5-(propanoylamino)-2-[4-(trifluoromethylsulfonyl)phenyl]-2H-1,3-thiazole-4-carboxylic acid Traditional Name: 3-cyclopentyl-5-propionamido-2-(4-triflylphenyl)-4-thiazoline-4-carboxylic acid Formula: C19H21F3N2O5S2 MolecularWeight: 478.50565

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N(C(S1)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C3CCCC3)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(N(C(S1)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C3CCCC3)C(=O)O

InChI

InChI=1S/C19H21F3N2O5S2/c1-2-14(25)23-16-15(18(26)27)24(12-5-3-4-6-12)17(30-16)11-7-9-13(10-8-11)31(28,29)19(20,21)22/h7-10,12,17H,2-6H2,1H3,(H,23,25)(H,26,27)