[2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4-bromanylbenzoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4-bromanylbenzoate Openeye Name: [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C21H18BrClN2O3S MolecularWeight: 493.80122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrClN2O3S/c1-12-8-13(2)19(18(23)9-12)25(14(3)26)21-24-17(11-29-21)10-28-20(27)15-4-6-16(22)7-5-15/h4-9,11H,10H2,1-3H3