tert-butyl 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(1-ethyl-2-methylidene-pyrrolidin-1-ium-1-yl)amino]ethanoate

Systemtic Name: tert-butyl 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(1-ethyl-2-methylidene-pyrrolidin-1-ium-1-yl)amino]ethanoate Openeye Name: tert-butyl 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-(1-ethyl-2-methylene-pyrrolidin-1-ium-1-yl)amino]acetate CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-(1-ethyl-2-methylene-1-pyrrolidin-1-iumyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-acetylsulfanyl-2-methylpropanoyl)-(1-ethyl-2-methylidenepyrrolidin-1-ium-1-yl)amino]acetate Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-(1-ethyl-2-methylene-pyrrolidin-1-ium-1-yl)amino]acetic acid tert-butyl ester Formula: C19H33N2O4S+ MolecularWeight: 385.54132

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1=C)N(CC(=O)OC(C)(C)C)C(=O)C(C)CSC(=O)C

Isomeric SMILES

CC[N+]1(CCCC1=C)N(CC(=O)OC(C)(C)C)C(=O)C(C)CSC(=O)C

InChI

InChI=1S/C19H33N2O4S/c1-8-21(11-9-10-15(21)3)20(12-17(23)25-19(5,6)7)18(24)14(2)13-26-16(4)22/h14H,3,8-13H2,1-2,4-7H3/q+1