ethyl 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-pyrazole-4-carboxylate CAS Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenylpyrazole-4-carboxylate Traditional Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c1-3-26-19(24)15-12-21-23(18(15)13-7-5-4-6-8-13)20-22-16-10-9-14(25-2)11-17(16)27-20/h4-12H,3H2,1-2H3