3-(3-but-3-enylsulfanyl-5-propan-2-yl-1H-indol-2-yl)-2,2-dimethyl-propanoic acid

Systemtic Name: 3-(3-but-3-enylsulfanyl-5-propan-2-yl-1H-indol-2-yl)-2,2-dimethyl-propanoic acid Openeye Name: 3-(3-but-3-enylsulfanyl-5-isopropyl-1H-indol-2-yl)-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(but-3-enylthio)-5-propan-2-yl-1H-indol-2-yl]-2,2-dimethylpropanoic acid IUPAC Name: 3-(3-but-3-enylsulfanyl-5-propan-2-yl-1H-indol-2-yl)-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(but-3-enylthio)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C20H27NO2S MolecularWeight: 345.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)NC(=C2SCCC=C)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)NC(=C2SCCC=C)CC(C)(C)C(=O)O

InChI

InChI=1S/C20H27NO2S/c1-6-7-10-24-18-15-11-14(13(2)3)8-9-16(15)21-17(18)12-20(4,5)19(22)23/h6,8-9,11,13,21H,1,7,10,12H2,2-5H3,(H,22,23)