ethyl 2-[(4E)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(4E)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C19H16BrN3O5S MolecularWeight: 478.31644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC4=C(C=C3Br)OCO4)C(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC4=C(C=C3Br)OCO4)/C(=N2)C)C

InChI

InChI=1S/C19H16BrN3O5S/c1-4-26-18(25)16-10(3)21-19(29-16)23-17(24)12(9(2)22-23)5-11-6-14-15(7-13(11)20)28-8-27-14/h5-7H,4,8H2,1-3H3/b12-5+