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

Systemtic Name: methyl 3-bromanyl-4-[[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methoxy]benzoate Openeye Name: methyl 4-[[2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methoxy]-3-bromo-benzoate CAS Name: 4-[[2-(N-acetyl-2,4-dimethylanilino)-4-thiazolyl]methoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-3-bromobenzoate Traditional Name: 4-[[2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methoxy]-3-bromo-benzoic acid methyl ester Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC3=C(C=C(C=C3)C(=O)OC)Br)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC3=C(C=C(C=C3)C(=O)OC)Br)C(=O)C)C

InChI

InChI=1S/C22H21BrN2O4S/c1-13-5-7-19(14(2)9-13)25(15(3)26)22-24-17(12-30-22)11-29-20-8-6-16(10-18(20)23)21(27)28-4/h5-10,12H,11H2,1-4H3