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

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoate Openeye Name: (4-nitrophenyl)methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]but-3-enoate CAS Name: 3-methyl-2-[2-[(4-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-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate Traditional Name: 2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(tosylthio)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=C(C=C1)S(=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=C(C=C1)S(=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)42-17-21-11-13-22(14-12-21)33(37)38)32-28(35)26(31-25(34)18-41-23-7-5-4-6-8-23)29(32)43-44(39,40)24-15-9-20(3)10-16-24/h4-16,26-27,29H,1,17-18H2,2-3H3,(H,31,34)