(2-azanyl-2-oxidanylidene-ethyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N

InChI

InChI=1S/C16H13N3O3S/c17-15(20)10-22-16(21)13-9-12(14-7-4-8-23-14)18-19(13)11-5-2-1-3-6-11/h1-9H,10H2,(H2,17,20)