4-azanyl-3-[5-ethyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,2-thiazole-5-carboxylic acid

Systemtic Name: 4-azanyl-3-[5-ethyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,2-thiazole-5-carboxylic acid Openeye Name: 4-amino-3-[5-ethyl-2-[3-(trifluoromethyl)phenyl]phenyl]isothiazole-5-carboxylic acid CAS Name: 4-amino-3-[5-ethyl-2-[3-(trifluoromethyl)phenyl]phenyl]-5-isothiazolecarboxylic acid IUPAC Name: 4-amino-3-[5-ethyl-2-[3-(trifluoromethyl)phenyl]phenyl]-1,2-thiazole-5-carboxylic acid Traditional Name: 4-amino-3-[5-ethyl-2-[3-(trifluoromethyl)phenyl]phenyl]isothiazole-5-carboxylic acid Formula: C19H15F3N2O2S MolecularWeight: 392.39481

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C2=CC(=CC=C2)C(F)(F)F)C3=NSC(=C3N)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)C2=CC(=CC=C2)C(F)(F)F)C3=NSC(=C3N)C(=O)O

InChI

InChI=1S/C19H15F3N2O2S/c1-2-10-6-7-13(11-4-3-5-12(9-11)19(20,21)22)14(8-10)16-15(23)17(18(25)26)27-24-16/h3-9H,2,23H2,1H3,(H,25,26)