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

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4S/c1-12-4-3-5-16(8-12)23(13(2)24)20-22-15(11-28-20)10-27-19(26)17-9-14(21)6-7-18(17)25/h3-9,11,25H,10H2,1-2H3