[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic 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] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C20H22N2O6S/c1-26-15-10-14(11-16(12-15)27-2)20(25)28-13-18(23)21-5-7-22(8-6-21)19(24)17-4-3-9-29-17/h3-4,9-12H,5-8,13H2,1-2H3