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

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 4-tert-butylbenzoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-22(2,3)17-8-6-16(7-9-17)21(27)28-15-19(25)23-10-12-24(13-11-23)20(26)18-5-4-14-29-18/h4-9,14H,10-13,15H2,1-3H3