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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)Br)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)Br)C(=O)C)C

InChI

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