[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C18H17N3O3S/c22-17(19-9-8-14-7-4-10-25-14)12-24-18(23)16-11-15(20-21-16)13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2,(H,19,22)(H,20,21)