[2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-bromanylbenzoate

Systemtic Name: [2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-bromanylbenzoate Openeye Name: [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(N-acetyl-4-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl ester Formula: C21H19BrN2O3S MolecularWeight: 459.35616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)Br)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)Br)C(=O)C

InChI

InChI=1S/C21H19BrN2O3S/c1-3-15-7-9-19(10-8-15)24(14(2)25)21-23-18(13-28-21)12-27-20(26)16-5-4-6-17(22)11-16/h4-11,13H,3,12H2,1-2H3