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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H19BrN2O3S2 MolecularWeight: 491.42116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O3S2/c1-13-9-15(22)7-8-18(13)24-20(25)10-27-21(26)17-5-3-4-6-19(17)29-12-16-11-28-14(2)23-16/h3-9,11H,10,12H2,1-2H3,(H,24,25)