2-[3-tert-butylsulfanyl-5-[(5-methylpyridin-2-yl)methoxy]-1-prop-2-enyl-indol-2-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-tert-butylsulfanyl-5-[(5-methylpyridin-2-yl)methoxy]-1-prop-2-enyl-indol-2-yl]-3-phenyl-propanoic acid Openeye Name: 2-[1-allyl-3-tert-butylsulfanyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-phenyl-propanoic acid CAS Name: 2-[3-(tert-butylthio)-5-[(5-methyl-2-pyridinyl)methoxy]-1-prop-2-enyl-2-indolyl]-3-phenylpropanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-5-[(5-methylpyridin-2-yl)methoxy]-1-prop-2-enylindol-2-yl]-3-phenylpropanoic acid Traditional Name: 2-[1-allyl-3-(tert-butylthio)-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-phenyl-propionic acid Formula: C31H34N2O3S MolecularWeight: 514.67826

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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)C(=O)O)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O3S/c1-6-16-33-27-15-14-24(36-20-23-13-12-21(2)19-32-23)18-25(27)29(37-31(3,4)5)28(33)26(30(34)35)17-22-10-8-7-9-11-22/h6-15,18-19,26H,1,16-17,20H2,2-5H3,(H,34,35)