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

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-methylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4-[1,3-benzothiazol-2-yl(oxo)methyl]-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 4-(1,3-benzothiazole-2-carbonyl)-1-(p-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-3-27-21(26)18-15(12-24(23-18)14-10-8-13(2)9-11-14)19(25)20-22-16-6-4-5-7-17(16)28-20/h4-12H,3H2,1-2H3