[2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(N-acetyl-4-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl ester Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O4S/c1-3-14-4-7-17(8-5-14)24(13(2)25)21-23-16(12-29-21)11-28-20(27)18-10-15(22)6-9-19(18)26/h4-10,12,26H,3,11H2,1-2H3