[2-(dimethylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)COC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-20(2)16(22)12-24-18(23)14-11-21(13-7-4-3-5-8-13)19-17(14)15-9-6-10-25-15/h3-11H,12H2,1-2H3