[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 3-(thiazol-4-ylmethoxy)benzoate CAS Name: 3-(4-thiazolylmethoxy)benzoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 3-(thiazol-4-ylmethoxy)benzoic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H17BrN2O4S MolecularWeight: 461.32898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CSC=N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CSC=N3)Br

InChI

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