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

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-chloranyl-4-oxidanylidene-azetidin-1-yl]-3-chloranylsulfanyl-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-chloro-4-oxo-azetidin-1-yl]-3-chlorosulfanyl-3-methyl-butanoate CAS Name: 2-[2-chloro-4-oxo-3-(1-oxobutylamino)-1-azetidinyl]-3-(chlorothio)-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-chloro-4-oxoazetidin-1-yl]-3-chlorosulfanyl-3-methylbutanoate Traditional Name: 2-(3-butyramido-2-chloro-4-keto-azetidin-1-yl)-3-(chlorothio)-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C19H23Cl2N3O6S MolecularWeight: 492.37342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)SCl)Cl

Isomeric SMILES

CCCC(=O)NC1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)SCl)Cl

InChI

InChI=1S/C19H23Cl2N3O6S/c1-4-5-13(25)22-14-16(20)23(17(14)26)15(19(2,3)31-21)18(27)30-10-11-6-8-12(9-7-11)24(28)29/h6-9,14-16H,4-5,10H2,1-3H3,(H,22,25)