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

Systemtic Name: ethyl 3-[2-oxidanyl-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propoxy]benzoate Openeye Name: ethyl 3-[2-hydroxy-3-[4-(3-thienylmethyl)piperazin-1-yl]propoxy]benzoate CAS Name: 3-[2-hydroxy-3-[4-(3-thiophenylmethyl)-1-piperazinyl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-hydroxy-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propoxy]benzoate Traditional Name: 3-[2-hydroxy-3-[4-(3-thenyl)piperazino]propoxy]benzoic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)CC3=CSC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)CC3=CSC=C3)O

InChI

InChI=1S/C21H28N2O4S/c1-2-26-21(25)18-4-3-5-20(12-18)27-15-19(24)14-23-9-7-22(8-10-23)13-17-6-11-28-16-17/h3-6,11-12,16,19,24H,2,7-10,13-15H2,1H3