3-[3-tert-butylsulfanyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-5-isopropyl-1-(4-pyridylmethyl)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-propan-2-yl-1-(pyridin-4-ylmethyl)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-5-isopropyl-1-(4-pyridylmethyl)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C26H34N2O2S MolecularWeight: 438.62536

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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)CC3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=NC=C3

InChI

InChI=1S/C26H34N2O2S/c1-17(2)19-8-9-21-20(14-19)23(31-25(3,4)5)22(15-26(6,7)24(29)30)28(21)16-18-10-12-27-13-11-18/h8-14,17H,15-16H2,1-7H3,(H,29,30)