(4-nitrophenyl)methyl 3-methyl-2-[2-(2-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[2-(2-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoate Openeye Name: (4-nitrophenyl)methyl 3-methyl-2-[2-(o-tolylsulfonylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate CAS Name: 3-methyl-2-[2-[(2-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-[2-(2-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate Traditional Name: 2-[2-keto-4-(o-tolylsulfonylthio)-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C30H29N3O9S2 MolecularWeight: 639.69596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)SC2C(C(=O)N2C(C(=C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)SC2C(C(=O)N2C(C(=C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C30H29N3O9S2/c1-19(2)27(30(36)42-17-21-13-15-22(16-14-21)33(37)38)32-28(35)26(31-25(34)18-41-23-10-5-4-6-11-23)29(32)43-44(39,40)24-12-8-7-9-20(24)3/h4-16,26-27,29H,1,17-18H2,2-3H3,(H,31,34)