(4-methanoyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (4-formyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-thiophen-2-yl-4-pyrazolecarboxylic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(2-thienyl)pyrazole-4-carboxylic acid (4-formyl-2-methoxy-phenyl) ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC=CS3)CCC#N

InChI

InChI=1S/C19H15N3O4S/c1-25-16-10-13(12-23)5-6-15(16)26-19(24)14-11-22(8-3-7-20)21-18(14)17-4-2-9-27-17/h2,4-6,9-12H,3,8H2,1H3