[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[(4,5-dimethylthiazol-2-yl)amino]-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-[(4,5-dimethylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C14H12BrFN2O3S MolecularWeight: 387.224083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)COC(=O)C2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)COC(=O)C2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C14H12BrFN2O3S/c1-7-8(2)22-14(17-7)18-12(19)6-21-13(20)10-4-3-9(15)5-11(10)16/h3-5H,6H2,1-2H3,(H,17,18,19)