ethyl 3-[3-[4-(2-ethyl-5-fluoranyl-indol-1-yl)piperidin-1-yl]propylsulfanyl]benzoate

Systemtic Name: ethyl 3-[3-[4-(2-ethyl-5-fluoranyl-indol-1-yl)piperidin-1-yl]propylsulfanyl]benzoate Openeye Name: ethyl 3-[3-[4-(2-ethyl-5-fluoro-indol-1-yl)-1-piperidyl]propylsulfanyl]benzoate CAS Name: 3-[3-[4-(2-ethyl-5-fluoro-1-indolyl)-1-piperidinyl]propylthio]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(2-ethyl-5-fluoroindol-1-yl)piperidin-1-yl]propylsulfanyl]benzoate Traditional Name: 3-[3-[4-(2-ethyl-5-fluoro-indol-1-yl)piperidino]propylthio]benzoic acid ethyl ester Formula: C27H33FN2O2S MolecularWeight: 468.626523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N1C3CCN(CC3)CCCSC4=CC=CC(=C4)C(=O)OCC)C=CC(=C2)F

Isomeric SMILES

CCC1=CC2=C(N1C3CCN(CC3)CCCSC4=CC=CC(=C4)C(=O)OCC)C=CC(=C2)F

InChI

InChI=1S/C27H33FN2O2S/c1-3-23-18-21-17-22(28)9-10-26(21)30(23)24-11-14-29(15-12-24)13-6-16-33-25-8-5-7-20(19-25)27(31)32-4-2/h5,7-10,17-19,24H,3-4,6,11-16H2,1-2H3