ethyl 2-[(4E)-4-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(4E)-4-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4E)-4-[(3-bromo-4,5-dimethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4E)-4-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-4-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4E)-4-(3-bromo-4,5-dimethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OC)OC)C(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OC)OC)/C(=N2)C)C

InChI

InChI=1S/C20H20BrN3O5S/c1-6-29-19(26)17-11(3)22-20(30-17)24-18(25)13(10(2)23-24)7-12-8-14(21)16(28-5)15(9-12)27-4/h7-9H,6H2,1-5H3/b13-7+