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

Systemtic Name: 3-(3-tert-butylsulfanyl-5-prop-2-enoxy-1H-indol-2-yl)-2,2-dimethyl-propanoic acid Openeye Name: 3-(5-allyloxy-3-tert-butylsulfanyl-1H-indol-2-yl)-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-prop-2-enoxy-1H-indol-2-yl]-2,2-dimethylpropanoic acid IUPAC Name: 3-(3-tert-butylsulfanyl-5-prop-2-enoxy-1H-indol-2-yl)-2,2-dimethylpropanoic acid Traditional Name: 3-[5-allyloxy-3-(tert-butylthio)-1H-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C20H27NO3S MolecularWeight: 361.49828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3S/c1-7-10-24-13-8-9-15-14(11-13)17(25-19(2,3)4)16(21-15)12-20(5,6)18(22)23/h7-9,11,21H,1,10,12H2,2-6H3,(H,22,23)