ethyl 4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-bromophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-bromophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(4-bromophenyl)pyrazole-3-carboxylate CAS Name: 4-[1,3-benzothiazol-2-yl(oxo)methyl]-1-(4-bromophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(4-bromophenyl)pyrazole-3-carboxylate Traditional Name: 4-(1,3-benzothiazole-2-carbonyl)-1-(4-bromophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H14BrN3O3S MolecularWeight: 456.31246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C(=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=NN(C=C1C(=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14BrN3O3S/c1-2-27-20(26)17-14(11-24(23-17)13-9-7-12(21)8-10-13)18(25)19-22-15-5-3-4-6-16(15)28-19/h3-11H,2H2,1H3