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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-chloranylsulfinyl-3-formamido-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(2-chlorosulfinyl-3-formamido-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(2-chlorosulfinyl-3-formamido-4-oxo-1-azetidinyl)-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-chlorosulfinyl-3-formamido-4-oxoazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(2-chlorosulfinyl-3-formamido-4-keto-azetidin-1-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C16H16ClN3O7S MolecularWeight: 429.83214

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O7S/c1-9(2)13(19-14(22)12(18-8-21)15(19)28(17)26)16(23)27-7-10-3-5-11(6-4-10)20(24)25/h3-6,8,12-13,15H,1,7H2,2H3,(H,18,21)