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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)ON2C(=O)CC2(NC(=O)C)S(=O)Cl

Isomeric SMILES

CC(=C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)ON2C(=O)CC2(NC(=O)C)S(=O)Cl

InChI

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