[3-methylsulfanyl-3-[(E)-(4-nitrophenyl)methylideneamino]-4-oxidanylidene-azetidin-2-yl] ethanoate

Systemtic Name: [3-methylsulfanyl-3-[(E)-(4-nitrophenyl)methylideneamino]-4-oxidanylidene-azetidin-2-yl] ethanoate Openeye Name: [3-methylsulfanyl-3-[(E)-(4-nitrophenyl)methyleneamino]-4-oxo-azetidin-2-yl] acetate CAS Name: acetic acid [3-(methylthio)-3-[(E)-(4-nitrophenyl)methylideneamino]-4-oxo-2-azetidinyl] ester IUPAC Name: [3-methylsulfanyl-3-[(E)-(4-nitrophenyl)methylideneamino]-4-oxoazetidin-2-yl] acetate Traditional Name: acetic acid [4-keto-3-(methylthio)-3-[(E)-(4-nitrobenzylidene)amino]azetidin-2-yl] ester Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=O)N1)(N=CC2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

CC(=O)OC1C(C(=O)N1)(/N=C/C2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C13H13N3O5S/c1-8(17)21-12-13(22-2,11(18)15-12)14-7-9-3-5-10(6-4-9)16(19)20/h3-7,12H,1-2H3,(H,15,18)/b14-7+