[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N4O4S/c27-20(24-8-10-25(11-9-24)22(29)19-7-4-12-31-19)16-30-21(28)13-17-14-23-26(15-17)18-5-2-1-3-6-18/h1-7,12,14-15H,8-11,13,16H2