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

Systemtic Name: ethyl 2-[(4E)-4-[(4-methoxy-3-methyl-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4E)-4-[(4-methoxy-3-methyl-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4E)-4-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-4-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4E)-5-keto-4-(4-methoxy-3-methyl-benzylidene)-3-methyl-2-pyrazolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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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)C)C(=N2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-6-27-19(25)17-13(4)21-20(28-17)23-18(24)15(12(3)22-23)10-14-7-8-16(26-5)11(2)9-14/h7-10H,6H2,1-5H3/b15-10+