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

Systemtic Name: 3-(1-tert-butylsulfanyl-5-oxidanyl-indol-2-yl)-2,2-dimethyl-propanoic acid Openeye Name: 3-(1-tert-butylsulfanyl-5-hydroxy-indol-2-yl)-2,2-dimethyl-propanoic acid CAS Name: 3-[1-(tert-butylthio)-5-hydroxy-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-(1-tert-butylsulfanyl-5-hydroxyindol-2-yl)-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(tert-butylthio)-5-hydroxy-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)SN1C2=C(C=C(C=C2)O)C=C1CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SN1C2=C(C=C(C=C2)O)C=C1CC(C)(C)C(=O)O

InChI

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