tert-butyl (2E)-2-[3-(3,4-dimethoxyphenyl)-1-methyl-pyrrolidin-2-ylidene]-5-methylsulfanyl-3-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (2E)-2-[3-(3,4-dimethoxyphenyl)-1-methyl-pyrrolidin-2-ylidene]-5-methylsulfanyl-3-oxidanylidene-pentanoate Openeye Name: tert-butyl (2E)-2-[3-(3,4-dimethoxyphenyl)-1-methyl-pyrrolidin-2-ylidene]-5-methylsulfanyl-3-oxo-pentanoate CAS Name: (2E)-2-[3-(3,4-dimethoxyphenyl)-1-methyl-2-pyrrolidinylidene]-5-(methylthio)-3-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-[3-(3,4-dimethoxyphenyl)-1-methylpyrrolidin-2-ylidene]-5-methylsulfanyl-3-oxopentanoate Traditional Name: (2E)-2-[3-(3,4-dimethoxyphenyl)-1-methyl-pyrrolidin-2-ylidene]-3-keto-5-(methylthio)valeric acid tert-butyl ester Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C1C(CCN1C)C2=CC(=C(C=C2)OC)OC)C(=O)CCSC

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C/1\C(CCN1C)C2=CC(=C(C=C2)OC)OC)/C(=O)CCSC

InChI

InChI=1S/C23H33NO5S/c1-23(2,3)29-22(26)20(17(25)11-13-30-7)21-16(10-12-24(21)4)15-8-9-18(27-5)19(14-15)28-6/h8-9,14,16H,10-13H2,1-7H3/b21-20+