phenyl 4-bromanyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole-5-carboxylate

Systemtic Name: phenyl 4-bromanyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole-5-carboxylate Openeye Name: phenyl 4-bromo-2-(p-tolylsulfonyl)thiazole-5-carboxylate CAS Name: 4-bromo-2-(4-methylphenyl)sulfonyl-5-thiazolecarboxylic acid phenyl ester IUPAC Name: phenyl 4-bromo-2-(4-methylphenyl)sulfonyl-1,3-thiazole-5-carboxylate Traditional Name: 4-bromo-2-tosyl-thiazole-5-carboxylic acid phenyl ester Formula: C17H12BrNO4S2 MolecularWeight: 438.31548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=C(S2)C(=O)OC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=C(S2)C(=O)OC3=CC=CC=C3)Br

InChI

InChI=1S/C17H12BrNO4S2/c1-11-7-9-13(10-8-11)25(21,22)17-19-15(18)14(24-17)16(20)23-12-5-3-2-4-6-12/h2-10H,1H3