(Z)-1-[(4-nitrophenyl)methoxy]-3-oxidanylidene-2-[2-oxidanylidene-4-(triethylazaniumyl)azetidin-1-yl]-5-sulfanyl-pent-1-en-1-olate

Systemtic Name: (Z)-1-[(4-nitrophenyl)methoxy]-3-oxidanylidene-2-[2-oxidanylidene-4-(triethylazaniumyl)azetidin-1-yl]-5-sulfanyl-pent-1-en-1-olate Openeye Name: (Z)-1-[(4-nitrophenyl)methoxy]-3-oxo-2-[2-oxo-4-(triethylammonio)azetidin-1-yl]-5-sulfanyl-pent-1-en-1-olate CAS Name: (Z)-5-mercapto-1-[(4-nitrophenyl)methoxy]-3-oxo-2-[2-oxo-4-(triethylammonio)-1-azetidinyl]-1-penten-1-olate IUPAC Name: (Z)-1-[(4-nitrophenyl)methoxy]-3-oxo-2-[2-oxo-4-(triethylazaniumyl)azetidin-1-yl]-5-sulfanylpent-1-en-1-olate Traditional Name: (Z)-3-keto-2-[2-keto-4-(triethylammonio)azetidin-1-yl]-5-mercapto-1-(4-nitrobenzyl)oxy-pent-1-en-1-olate Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)C1CC(=O)N1C(=C([O-])OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCS

Isomeric SMILES

CC[N+](CC)(CC)C1CC(=O)N1/C(=C(/[O-])\OCC2=CC=C(C=C2)[N+](=O)[O-])/C(=O)CCS

InChI

InChI=1S/C21H29N3O6S/c1-4-24(5-2,6-3)18-13-19(26)22(18)20(17(25)11-12-31)21(27)30-14-15-7-9-16(10-8-15)23(28)29/h7-10,18H,4-6,11-14H2,1-3H3,(H-,25,27,31)