3-(3-tert-butylsulfanyl-5-oxidanyl-1H-indol-2-yl)-2,2-dimethyl-propanoic acid

Systemtic Name: 3-(3-tert-butylsulfanyl-5-oxidanyl-1H-indol-2-yl)-2,2-dimethyl-propanoic acid Openeye Name: 3-(3-tert-butylsulfanyl-5-hydroxy-1H-indol-2-yl)-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-hydroxy-1H-indol-2-yl]-2,2-dimethylpropanoic acid IUPAC Name: 3-(3-tert-butylsulfanyl-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-5-hydroxy-1H-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(NC2=C1C=C(C=C2)O)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(NC2=C1C=C(C=C2)O)CC(C)(C)C(=O)O

InChI

InChI=1S/C17H23NO3S/c1-16(2,3)22-14-11-8-10(19)6-7-12(11)18-13(14)9-17(4,5)15(20)21/h6-8,18-19H,9H2,1-5H3,(H,20,21)