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

Systemtic Name: 3-cyclopentyl-2-[propanoyl-[4-(trifluoromethylsulfonyl)phenyl]amino]-2H-1,3-thiazole-4-carboxylic acid Openeye Name: 3-cyclopentyl-2-[N-propanoyl-4-(trifluoromethylsulfonyl)anilino]-2H-thiazole-4-carboxylic acid CAS Name: 3-cyclopentyl-2-[N-(1-oxopropyl)-4-(trifluoromethylsulfonyl)anilino]-2H-thiazole-4-carboxylic acid IUPAC Name: 3-cyclopentyl-2-[N-propanoyl-4-(trifluoromethylsulfonyl)anilino]-2H-1,3-thiazole-4-carboxylic acid Traditional Name: 3-cyclopentyl-2-(N-propionyl-4-triflyl-anilino)-4-thiazoline-4-carboxylic acid Formula: C19H21F3N2O5S2 MolecularWeight: 478.50565

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1N(C(=CS1)C(=O)O)C2CCCC2)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC(=O)N(C1N(C(=CS1)C(=O)O)C2CCCC2)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChI

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