[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3,4-diethoxybenzoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OCC

InChI

InChI=1S/C22H26N2O6S/c1-3-28-17-8-7-16(14-18(17)29-4-2)22(27)30-15-20(25)23-9-11-24(12-10-23)21(26)19-6-5-13-31-19/h5-8,13-14H,3-4,9-12,15H2,1-2H3