[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-(thiazol-4-ylmethoxy)benzoate CAS Name: 3-(4-thiazolylmethoxy)benzoic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 3-(thiazol-4-ylmethoxy)benzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H16BrFN2O4S MolecularWeight: 479.319443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

InChI

InChI=1S/C20H16BrFN2O4S/c1-12(19(25)24-18-6-5-14(21)8-17(18)22)28-20(26)13-3-2-4-16(7-13)27-9-15-10-29-11-23-15/h2-8,10-12H,9H2,1H3,(H,24,25)