(4-nitrophenyl)methyl 2-[2-butanoyloxy-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-chloranylsulfanyl-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-butanoyloxy-4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-chloranylsulfanyl-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl 2-[2-butanoyloxy-4-[(3-oxo-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-chlorosulfanyl-3-methyl-butanoate CAS Name: 3-(chlorothio)-2-[2-[(1,3-dioxo-3-phenylpropyl)amino]-4-(1-oxobutoxy)-1-azetidinyl]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-butanoyloxy-4-[(3-oxo-3-phenylpropanoyl)amino]azetidin-1-yl]-3-chlorosulfanyl-3-methylbutanoate Traditional Name: 2-[2-butyryloxy-4-[(3-keto-3-phenyl-propanoyl)amino]azetidin-1-yl]-3-(chlorothio)-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C28H32ClN3O8S MolecularWeight: 606.08698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CC(N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)SCl)NC(=O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)OC1CC(N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)SCl)NC(=O)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H32ClN3O8S/c1-4-8-25(35)40-24-16-22(30-23(34)15-21(33)19-9-6-5-7-10-19)31(24)26(28(2,3)41-29)27(36)39-17-18-11-13-20(14-12-18)32(37)38/h5-7,9-14,22,24,26H,4,8,15-17H2,1-3H3,(H,30,34)