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

Systemtic Name: ethyl 2-[(4E)-4-[(3-chloranyl-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4E)-4-[(3-chloro-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4E)-4-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-4-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4E)-4-(3-chloro-4-propargyloxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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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)OCC#C)Cl)C(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC#C)Cl)/C(=N2)C)C

InChI

InChI=1S/C21H18ClN3O4S/c1-5-9-29-17-8-7-14(11-16(17)22)10-15-12(3)24-25(19(15)26)21-23-13(4)18(30-21)20(27)28-6-2/h1,7-8,10-11H,6,9H2,2-4H3/b15-10+