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

Systemtic Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-chlorosulfinyl-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(3-acetamido-2-chlorosulfinyl-4-oxo-1-azetidinyl)-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-chlorosulfinyl-4-oxoazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(3-acetamido-2-chlorosulfinyl-4-keto-azetidin-1-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C17H18ClN3O7S MolecularWeight: 443.85872

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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)C)S(=O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O7S/c1-9(2)14(20-15(23)13(19-10(3)22)16(20)29(18)27)17(24)28-8-11-4-6-12(7-5-11)21(25)26/h4-7,13-14,16H,1,8H2,2-3H3,(H,19,22)