5-(2-ethyl-4-fluoranyl-phenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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