2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-pyridin-2-yl-propanoic acid

Systemtic Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-pyridin-2-yl-propanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(2-pyridyl)propanoic acid CAS Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridinyl)methoxy]-2-indolyl]-3-(2-pyridinyl)propanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-pyridin-2-ylpropanoic acid Traditional Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(2-pyridyl)propionic acid Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)C(CC4=CC=CC=N4)C(=O)O)C

Isomeric SMILES

CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)C(CC4=CC=CC=N4)C(=O)O)C

InChI

InChI=1S/C28H31N3O3S/c1-18-9-10-20(30-16-18)17-34-21-11-12-24-22(15-21)26(35-28(2,3)4)25(31(24)5)23(27(32)33)14-19-8-6-7-13-29-19/h6-13,15-16,23H,14,17H2,1-5H3,(H,32,33)