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

Systemtic Name: methyl 3-(3-tert-butylsulfanyl-5-prop-2-enoxy-1H-indol-2-yl)-2,2-dimethyl-propanoate Openeye Name: methyl 3-(5-allyloxy-3-tert-butylsulfanyl-1H-indol-2-yl)-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-5-prop-2-enoxy-1H-indol-2-yl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-(3-tert-butylsulfanyl-5-prop-2-enoxy-1H-indol-2-yl)-2,2-dimethylpropanoate Traditional Name: 3-[5-allyloxy-3-(tert-butylthio)-1H-indol-2-yl]-2,2-dimethyl-propionic acid methyl ester Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3S/c1-8-11-25-14-9-10-16-15(12-14)18(26-20(2,3)4)17(22-16)13-21(5,6)19(23)24-7/h8-10,12,22H,1,11,13H2,2-7H3