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

Systemtic Name: 2-methyl-2-[1-[3-(4-nitrophenyl)sulfanylpropyl]indol-4-yl]oxy-propanoic acid Openeye Name: 2-methyl-2-[1-[3-(4-nitrophenyl)sulfanylpropyl]indol-4-yl]oxy-propanoic acid CAS Name: 2-methyl-2-[[1-[3-[(4-nitrophenyl)thio]propyl]-4-indolyl]oxy]propanoic acid IUPAC Name: 2-methyl-2-[1-[3-(4-nitrophenyl)sulfanylpropyl]indol-4-yl]oxypropanoic acid Traditional Name: 2-methyl-2-[1-[3-[(4-nitrophenyl)thio]propyl]indol-4-yl]oxy-propionic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC2=C1C=CN2CCCSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC2=C1C=CN2CCCSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5S/c1-21(2,20(24)25)28-19-6-3-5-18-17(19)11-13-22(18)12-4-14-29-16-9-7-15(8-10-16)23(26)27/h3,5-11,13H,4,12,14H2,1-2H3,(H,24,25)