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

Systemtic Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-quinolin-2-yl-propanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(2-quinolyl)propanoic acid CAS Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridinyl)methoxy]-2-indolyl]-3-(2-quinolinyl)propanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-quinolin-2-ylpropanoic acid Traditional Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(2-quinolyl)propionic acid Formula: C32H33N3O3S MolecularWeight: 539.68772

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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=NC5=CC=CC=C5C=C4)C(=O)O)C

Isomeric SMILES

CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)C(CC4=NC5=CC=CC=C5C=C4)C(=O)O)C

InChI

InChI=1S/C32H33N3O3S/c1-20-10-12-23(33-18-20)19-38-24-14-15-28-25(17-24)30(39-32(2,3)4)29(35(28)5)26(31(36)37)16-22-13-11-21-8-6-7-9-27(21)34-22/h6-15,17-18,26H,16,19H2,1-5H3,(H,36,37)