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

Systemtic Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-(3-chlorophenyl)-2-oxidanyl-propanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(3-chlorophenyl)-2-hydroxy-propanoic acid CAS Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridinyl)methoxy]-2-indolyl]-3-(3-chlorophenyl)-2-hydroxypropanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-(3-chlorophenyl)-2-hydroxypropanoic acid Traditional Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(3-chlorophenyl)-2-hydroxy-propionic acid Formula: C29H31ClN2O4S MolecularWeight: 539.08544

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

InChI

InChI=1S/C29H31ClN2O4S/c1-18-9-10-21(31-16-18)17-36-22-11-12-24-23(14-22)25(37-28(2,3)4)26(32(24)5)29(35,27(33)34)15-19-7-6-8-20(30)13-19/h6-14,16,35H,15,17H2,1-5H3,(H,33,34)