ethyl 3-[2-oxidanyl-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propoxy]benzoate

Systemtic Name: ethyl 3-[2-oxidanyl-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propoxy]benzoate Openeye Name: ethyl 3-[2-hydroxy-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propoxy]benzoate CAS Name: 3-[2-hydroxy-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-hydroxy-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propoxy]benzoate Traditional Name: 3-[2-hydroxy-3-[4-(2-thenoyl)piperazino]propoxy]benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CS3)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CS3)O

InChI

InChI=1S/C21H26N2O5S/c1-2-27-21(26)16-5-3-6-18(13-16)28-15-17(24)14-22-8-10-23(11-9-22)20(25)19-7-4-12-29-19/h3-7,12-13,17,24H,2,8-11,14-15H2,1H3