3-(3-tert-butylsulfanyl-1H-indol-2-yl)-2,2-dimethyl-propanoic acid

Systemtic Name: 3-(3-tert-butylsulfanyl-1H-indol-2-yl)-2,2-dimethyl-propanoic acid Openeye Name: 3-(3-tert-butylsulfanyl-1H-indol-2-yl)-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1H-indol-2-yl]-2,2-dimethylpropanoic acid IUPAC Name: 3-(3-tert-butylsulfanyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1H-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C17H23NO2S MolecularWeight: 305.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(NC2=CC=CC=C21)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(NC2=CC=CC=C21)CC(C)(C)C(=O)O

InChI

InChI=1S/C17H23NO2S/c1-16(2,3)21-14-11-8-6-7-9-12(11)18-13(14)10-17(4,5)15(19)20/h6-9,18H,10H2,1-5H3,(H,19,20)