2-[[2-(4-fluorophenyl)carbonylimino-4,5-dimethyl-1,3-thiazol-3-yl]methyl]benzoic acid

Systemtic Name: 2-[[2-(4-fluorophenyl)carbonylimino-4,5-dimethyl-1,3-thiazol-3-yl]methyl]benzoic acid Openeye Name: 2-[[2-(4-fluorobenzoyl)imino-4,5-dimethyl-thiazol-3-yl]methyl]benzoic acid CAS Name: 2-[[2-[(4-fluorophenyl)-oxomethyl]imino-4,5-dimethyl-3-thiazolyl]methyl]benzoic acid IUPAC Name: 2-[[2-(4-fluorobenzoyl)imino-4,5-dimethyl-1,3-thiazol-3-yl]methyl]benzoic acid Traditional Name: 2-[[2-(4-fluorobenzoyl)imino-4,5-dimethyl-4-thiazolin-3-yl]methyl]benzoic acid Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)F)N1CC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)F)N1CC3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C20H17FN2O3S/c1-12-13(2)27-20(22-18(24)14-7-9-16(21)10-8-14)23(12)11-15-5-3-4-6-17(15)19(25)26/h3-10H,11H2,1-2H3,(H,25,26)