3-(3-tert-butylsulfanyl-5-propan-2-yl-1H-indol-2-yl)-2,2-dimethyl-propanoate

Systemtic Name: 3-(3-tert-butylsulfanyl-5-propan-2-yl-1H-indol-2-yl)-2,2-dimethyl-propanoate Openeye Name: 3-(3-tert-butylsulfanyl-5-isopropyl-1H-indol-2-yl)-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-5-propan-2-yl-1H-indol-2-yl]-2,2-dimethylpropanoate IUPAC Name: 3-(3-tert-butylsulfanyl-5-propan-2-yl-1H-indol-2-yl)-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionate Formula: C20H28NO2S- MolecularWeight: 346.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)NC(=C2SC(C)(C)C)CC(C)(C)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)NC(=C2SC(C)(C)C)CC(C)(C)C(=O)[O-]

InChI

InChI=1S/C20H29NO2S/c1-12(2)13-8-9-15-14(10-13)17(24-19(3,4)5)16(21-15)11-20(6,7)18(22)23/h8-10,12,21H,11H2,1-7H3,(H,22,23)/p-1