3-[3-(2,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1-prop-2-enyl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-(2,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1-prop-2-enyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-allyl-3-(2,5-dimethylphenyl)sulfanyl-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-[(2,5-dimethylphenyl)thio]-5-propan-2-yl-1-prop-2-enyl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(2,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1-prop-2-enylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-allyl-3-[(2,5-dimethylphenyl)thio]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C27H33NO2S MolecularWeight: 435.62142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(N(C3=C2C=C(C=C3)C(C)C)CC=C)CC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(N(C3=C2C=C(C=C3)C(C)C)CC=C)CC(C)(C)C(=O)O

InChI

InChI=1S/C27H33NO2S/c1-8-13-28-22-12-11-20(17(2)3)15-21(22)25(23(28)16-27(6,7)26(29)30)31-24-14-18(4)9-10-19(24)5/h8-12,14-15,17H,1,13,16H2,2-7H3,(H,29,30)