(4-nitrophenyl)methyl 2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]buta-2,3-dienoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]buta-2,3-dienoate Openeye Name: (4-nitrophenyl)methyl 2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]buta-2,3-dienoate CAS Name: 2-[2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]buta-2,3-dienoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]buta-2,3-dienoate Traditional Name: 2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(tosylthio)azetidin-1-yl]buta-2,3-dienoic acid (4-nitrobenzyl) ester Formula: C29H25N3O9S2 MolecularWeight: 623.6535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2C(=C=C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2C(=C=C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C29H25N3O9S2/c1-3-24(29(35)41-17-20-11-13-21(14-12-20)32(36)37)31-27(34)26(30-25(33)18-40-22-7-5-4-6-8-22)28(31)42-43(38,39)23-15-9-19(2)10-16-23/h4-16,26,28H,1,17-18H2,2H3,(H,30,33)