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

Systemtic Name: methyl 3-bromanyl-4-[[2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methoxy]benzoate Openeye Name: methyl 4-[[2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methoxy]-3-bromo-benzoate CAS Name: 4-[[2-(N-acetyl-4-ethylanilino)-4-thiazolyl]methoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methoxy]-3-bromobenzoate Traditional Name: 4-[[2-(N-acetyl-4-ethyl-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:

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC3=C(C=C(C=C3)C(=O)OC)Br)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC3=C(C=C(C=C3)C(=O)OC)Br)C(=O)C

InChI

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