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

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)C#N)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=C(C=C2)C#N)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H17N3O4S/c20-12-14-3-5-15(6-4-14)19(25)26-13-17(23)21-7-9-22(10-8-21)18(24)16-2-1-11-27-16/h1-6,11H,7-10,13H2