ethyl 2-[(4E)-4-[(6-methoxy-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-methoxy-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-methoxy-1,3-benzodioxol-5-yl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4E)-4-[(6-methoxy-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-methoxy-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4E)-5-keto-4-[(6-methoxy-1,3-benzodioxol-5-yl)methylene]-3-methyl-2-pyrazolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC4=C(C=C3OC)OCO4)C(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC4=C(C=C3OC)OCO4)/C(=N2)C)C

InChI

InChI=1S/C20H19N3O6S/c1-5-27-19(25)17-11(3)21-20(30-17)23-18(24)13(10(2)22-23)6-12-7-15-16(29-9-28-15)8-14(12)26-4/h6-8H,5,9H2,1-4H3/b13-6+