3-(3-tert-butylsulfanyl-5-propan-2-yl-1-prop-2-enyl-indol-2-yl)-2,2-dimethyl-propanoic acid

Systemtic Name: 3-(3-tert-butylsulfanyl-5-propan-2-yl-1-prop-2-enyl-indol-2-yl)-2,2-dimethyl-propanoic acid Openeye Name: 3-(1-allyl-3-tert-butylsulfanyl-5-isopropyl-indol-2-yl)-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-propan-2-yl-1-prop-2-enyl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-(3-tert-butylsulfanyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)-2,2-dimethylpropanoic acid Traditional Name: 3-[1-allyl-3-(tert-butylthio)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C23H33NO2S MolecularWeight: 387.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC=C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC=C

InChI

InChI=1S/C23H33NO2S/c1-9-12-24-18-11-10-16(15(2)3)13-17(18)20(27-22(4,5)6)19(24)14-23(7,8)21(25)26/h9-11,13,15H,1,12,14H2,2-8H3,(H,25,26)