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

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3)Br

InChI

InChI=1S/C20H17BrN2O3S2/c1-13-6-7-17(16(21)8-13)23-19(24)9-26-20(25)15-4-2-3-5-18(15)28-11-14-10-27-12-22-14/h2-8,10,12H,9,11H2,1H3,(H,23,24)