2-methyl-2-[1-(3-pyridin-4-ylsulfanylpropyl)indol-4-yl]oxy-propanoic acid

Systemtic Name: 2-methyl-2-[1-(3-pyridin-4-ylsulfanylpropyl)indol-4-yl]oxy-propanoic acid Openeye Name: 2-methyl-2-[1-[3-(4-pyridylsulfanyl)propyl]indol-4-yl]oxy-propanoic acid CAS Name: 2-methyl-2-[[1-[3-(pyridin-4-ylthio)propyl]-4-indolyl]oxy]propanoic acid IUPAC Name: 2-methyl-2-[1-(3-pyridin-4-ylsulfanylpropyl)indol-4-yl]oxypropanoic acid Traditional Name: 2-methyl-2-[1-[3-(4-pyridylthio)propyl]indol-4-yl]oxy-propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC2=C1C=CN2CCCSC3=CC=NC=C3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC2=C1C=CN2CCCSC3=CC=NC=C3

InChI

InChI=1S/C20H22N2O3S/c1-20(2,19(23)24)25-18-6-3-5-17-16(18)9-13-22(17)12-4-14-26-15-7-10-21-11-8-15/h3,5-11,13H,4,12,14H2,1-2H3,(H,23,24)