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

Systemtic Name: methyl 4-[2-oxidanyl-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[4-(2-thenoyl)piperazino]propoxy]benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-26-20(25)15-4-6-17(7-5-15)27-14-16(23)13-21-8-10-22(11-9-21)19(24)18-3-2-12-28-18/h2-7,12,16,23H,8-11,13-14H2,1H3