2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-(4-chlorophenyl)propanoic acid

Systemtic Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-(4-chlorophenyl)propanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(4-chlorophenyl)propanoic acid CAS Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridinyl)methoxy]-2-indolyl]-3-(4-chlorophenyl)propanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-(4-chlorophenyl)propanoic acid Traditional Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(4-chlorophenyl)propionic acid Formula: C29H31ClN2O3S MolecularWeight: 523.08604

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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=C(C=C4)Cl)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=C(C=C4)Cl)C(=O)O)C

InChI

InChI=1S/C29H31ClN2O3S/c1-18-6-11-21(31-16-18)17-35-22-12-13-25-23(15-22)27(36-29(2,3)4)26(32(25)5)24(28(33)34)14-19-7-9-20(30)10-8-19/h6-13,15-16,24H,14,17H2,1-5H3,(H,33,34)