ethyl 2-[(4E)-4-[(3-bromanyl-4-methoxy-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-methoxy-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-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4E)-4-(3-bromo-4-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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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)OC)Br)C(=N2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O4S/c1-5-27-18(25)16-11(3)21-19(28-16)23-17(24)13(10(2)22-23)8-12-6-7-15(26-4)14(20)9-12/h6-9H,5H2,1-4H3/b13-8+