triethyl-[1-[(Z)-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-5-sulfanyl-pent-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl]azanium

Systemtic Name: triethyl-[1-[(Z)-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-5-sulfanyl-pent-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl]azanium Openeye Name: triethyl-[1-[(1Z)-1-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-2-oxo-4-sulfanyl-butyl]-4-oxo-azetidin-2-yl]ammonium CAS Name: triethyl-[1-[(Z)-1-hydroxy-5-mercapto-1-[(4-nitrophenyl)methoxy]-3-oxopent-1-en-2-yl]-4-oxo-2-azetidinyl]ammonium IUPAC Name: triethyl-[1-[(Z)-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxo-5-sulfanylpent-1-en-2-yl]-4-oxoazetidin-2-yl]azanium Traditional Name: triethyl-[1-[(Z)-2-hydroxy-1-(3-mercaptopropanoyl)-2-(4-nitrobenzyl)oxy-vinyl]-4-keto-azetidin-2-yl]ammonium Formula: C21H30N3O6S+ MolecularWeight: 452.5444

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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-,27,31)/p+1/b21-20-