(3-methylphenyl) 3-[(4-bromanyl-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate

Systemtic Name: (3-methylphenyl) 3-[(4-bromanyl-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate Openeye Name: m-tolyl 3-[(4-bromo-3-methyl-isoxazol-5-yl)sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[(4-bromo-3-methyl-5-isoxazolyl)sulfamoyl]-2-thiophenecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[(4-bromo-3-methyl-isoxazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid m-tolyl ester Formula: C16H13BrN2O5S2 MolecularWeight: 457.31882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Br

InChI

InChI=1S/C16H13BrN2O5S2/c1-9-4-3-5-11(8-9)23-16(20)14-12(6-7-25-14)26(21,22)19-15-13(17)10(2)18-24-15/h3-8,19H,1-2H3