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

Systemtic Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-oxidanylidene-4-sulfanyl-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-oxo-4-sulfanyl-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(3-acetamido-2-mercapto-4-oxo-1-azetidinyl)-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-oxo-4-sulfanylazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(3-acetamido-2-keto-4-mercapto-azetidin-1-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-9(2)14(19-15(22)13(16(19)27)18-10(3)21)17(23)26-8-11-4-6-12(7-5-11)20(24)25/h4-7,13-14,16,27H,1,8H2,2-3H3,(H,18,21)