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

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[2-methylsulfinamoyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]but-2-enoate Openeye Name: (4-nitrophenyl)methyl 3-methyl-2-[2-methylsulfinamoyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-2-enoate CAS Name: 3-methyl-2-[2-methylsulfinamoyl-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-[2-methylsulfinamoyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-2-enoate Traditional Name: 2-[2-keto-4-methylsulfinamoyl-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester Formula: C24H26N4O7S MolecularWeight: 514.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)S(=O)NC)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)S(=O)NC)C

InChI

InChI=1S/C24H26N4O7S/c1-15(2)21(24(31)35-14-17-9-11-18(12-10-17)28(32)33)27-22(30)20(23(27)36(34)25-3)26-19(29)13-16-7-5-4-6-8-16/h4-12,20,23,25H,13-14H2,1-3H3,(H,26,29)