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

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-sulfinamoyl-azetidin-1-yl]but-3-enoate Openeye Name: (4-nitrophenyl)methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-sulfinamoyl-azetidin-1-yl]but-3-enoate CAS Name: 3-methyl-2-[2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-sulfinamoyl-1-azetidinyl]-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-sulfinamoylazetidin-1-yl]but-3-enoate Traditional Name: 2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-sulfinamoyl-azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C23H24N4O8S MolecularWeight: 516.52366

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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)COC3=CC=CC=C3)S(=O)N

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)S(=O)N

InChI

InChI=1S/C23H24N4O8S/c1-14(2)20(23(30)35-12-15-8-10-16(11-9-15)27(31)32)26-21(29)19(22(26)36(24)33)25-18(28)13-34-17-6-4-3-5-7-17/h3-11,19-20,22H,1,12-13,24H2,2H3,(H,25,28)