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

Systemtic Name: ethyl 2-[(4E)-4-[(4-ethoxy-3-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4E)-4-[(4-ethoxy-3-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4E)-4-(4-ethoxy-3-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=NC(=C(S3)C(=O)OCC)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=NC(=C(S3)C(=O)OCC)C)C)OC

InChI

InChI=1S/C21H23N3O5S/c1-6-28-16-9-8-14(11-17(16)27-5)10-15-12(3)23-24(19(15)25)21-22-13(4)18(30-21)20(26)29-7-2/h8-11H,6-7H2,1-5H3/b15-10+