2,2-dimethylpropanoyloxymethyl 2-[2-chloranylsulfinyl-3-[(4-nitrophenyl)carbonylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 2-[2-chloranylsulfinyl-3-[(4-nitrophenyl)carbonylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 2-[2-chlorosulfinyl-3-[(4-nitrobenzoyl)amino]-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-chlorosulfinyl-3-[[(4-nitrophenyl)-oxomethyl]amino]-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 2-[2-chlorosulfinyl-3-[(4-nitrobenzoyl)amino]-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-chlorosulfinyl-4-keto-3-[(4-nitrobenzoyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid pivaloyloxymethyl ester Formula: C21H24ClN3O9S MolecularWeight: 529.94796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCOC(=O)C(C)(C)C)N1C(C(C1=O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)Cl

Isomeric SMILES

CC(=C)C(C(=O)OCOC(=O)C(C)(C)C)N1C(C(C1=O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)Cl

InChI

InChI=1S/C21H24ClN3O9S/c1-11(2)15(19(28)33-10-34-20(29)21(3,4)5)24-17(27)14(18(24)35(22)32)23-16(26)12-6-8-13(9-7-12)25(30)31/h6-9,14-15,18H,1,10H2,2-5H3,(H,23,26)