ethyl 2-[3-(1-pyridin-3-ylindol-3-yl)propylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[3-(1-pyridin-3-ylindol-3-yl)propylsulfanyl]ethanoate Openeye Name: ethyl 2-[3-[1-(3-pyridyl)indol-3-yl]propylsulfanyl]acetate CAS Name: 2-[3-[1-(3-pyridinyl)-3-indolyl]propylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-pyridin-3-ylindol-3-yl)propylsulfanyl]acetate Traditional Name: 2-[3-[1-(3-pyridyl)indol-3-yl]propylthio]acetic acid ethyl ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCCCC1=CN(C2=CC=CC=C21)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CSCCCC1=CN(C2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C20H22N2O2S/c1-2-24-20(23)15-25-12-6-7-16-14-22(17-8-5-11-21-13-17)19-10-4-3-9-18(16)19/h3-5,8-11,13-14H,2,6-7,12,15H2,1H3