(2-oxidanylidene-2-phenylazanyl-ethyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S/c26-20(23-16-8-3-1-4-9-16)15-28-22(27)18-14-25(17-10-5-2-6-11-17)24-21(18)19-12-7-13-29-19/h1-14H,15H2,(H,23,26)