tert-butyl 2-[1-[3-(4-chlorophenyl)-3-sulfanylidene-propyl]-2-oxidanylidene-azetidin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[1-[3-(4-chlorophenyl)-3-sulfanylidene-propyl]-2-oxidanylidene-azetidin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[1-[3-(4-chlorophenyl)-3-thioxo-propyl]-2-oxo-azetidin-1-ium-1-yl]acetate CAS Name: 2-[1-[3-(4-chlorophenyl)-3-sulfanylidenepropyl]-2-oxo-1-azetidin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[3-(4-chlorophenyl)-3-sulfanylidenepropyl]-2-oxoazetidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[3-(4-chlorophenyl)-3-thioxo-propyl]-2-keto-azetidin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C18H23ClNO3S+ MolecularWeight: 368.89812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]1(CCC1=O)CCC(=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]1(CCC1=O)CCC(=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H23ClNO3S/c1-18(2,3)23-17(22)12-20(11-9-16(20)21)10-8-15(24)13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3/q+1