(4-nitrophenyl)methyl 2-(3-formamido-2-methylsulfanylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-formamido-2-methylsulfanylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(3-formamido-2-methylsulfanylsulfinyl-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-[3-formamido-2-(methylthio)sulfinyl-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-formamido-2-methylsulfanylsulfinyl-4-oxoazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-[3-formamido-2-keto-4-(methylthio)sulfinyl-azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C17H19N3O7S2 MolecularWeight: 441.47866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC=O)S(=O)SC

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC=O)S(=O)SC

InChI

InChI=1S/C17H19N3O7S2/c1-10(2)14(19-15(22)13(18-9-21)16(19)29(26)28-3)17(23)27-8-11-4-6-12(7-5-11)20(24)25/h4-7,9,13-14,16H,1,8H2,2-3H3,(H,18,21)