(4-nitrophenyl)methyl 2-[2-chloranyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-chloranylsulfanyl-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-chloranyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-chloranylsulfanyl-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl 2-[2-chloro-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-chlorosulfanyl-3-methyl-butanoate CAS Name: 2-[2-chloro-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-(chlorothio)-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-chloro-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-chlorosulfanyl-3-methylbutanoate Traditional Name: 2-[2-chloro-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-(chlorothio)-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C23H23Cl2N3O6S MolecularWeight: 540.41622

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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)CC3=CC=CC=C3)Cl)SCl

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N3O6S/c1-23(2,35-25)19(22(31)34-13-15-8-10-16(11-9-15)28(32)33)27-20(24)18(21(27)30)26-17(29)12-14-6-4-3-5-7-14/h3-11,18-20H,12-13H2,1-2H3,(H,26,29)