2-[1-[3-(4-methoxyphenyl)sulfanylpropyl]indol-4-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[1-[3-(4-methoxyphenyl)sulfanylpropyl]indol-4-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[1-[3-(4-methoxyphenyl)sulfanylpropyl]indol-4-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[1-[3-[(4-methoxyphenyl)thio]propyl]-4-indolyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[1-[3-(4-methoxyphenyl)sulfanylpropyl]indol-4-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[1-[3-[(4-methoxyphenyl)thio]propyl]indol-4-yl]oxy-2-methyl-propionic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-22(2,21(24)25)27-20-7-4-6-19-18(20)12-14-23(19)13-5-15-28-17-10-8-16(26-3)9-11-17/h4,6-12,14H,5,13,15H2,1-3H3,(H,24,25)