5-(2-ethyl-4-methylsulfonyl-phenyl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 5-(2-ethyl-4-methylsulfonyl-phenyl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 5-(2-ethyl-4-methylsulfonyl-phenyl)-4-(4-fluorophenyl)thiazole-2-carboxylic acid CAS Name: 5-(2-ethyl-4-methylsulfonylphenyl)-4-(4-fluorophenyl)-2-thiazolecarboxylic acid IUPAC Name: 5-(2-ethyl-4-methylsulfonylphenyl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 5-(2-ethyl-4-mesyl-phenyl)-4-(4-fluorophenyl)thiazole-2-carboxylic acid Formula: C19H16FNO4S2 MolecularWeight: 405.463043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)C)C2=C(N=C(S2)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)C)C2=C(N=C(S2)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FNO4S2/c1-3-11-10-14(27(2,24)25)8-9-15(11)17-16(21-18(26-17)19(22)23)12-4-6-13(20)7-5-12/h4-10H,3H2,1-2H3,(H,22,23)