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

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-(thiazol-4-ylmethoxy)benzoate CAS Name: 3-(4-thiazolylmethoxy)benzoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 3-(thiazol-4-ylmethoxy)benzoic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4S/c1-13(19(24)23-16-7-5-15(21)6-8-16)27-20(25)14-3-2-4-18(9-14)26-10-17-11-28-12-22-17/h2-9,11-13H,10H2,1H3,(H,23,24)