2,2-dimethylpropanoyloxymethyl 3-methyl-7-(6-nitro-1H-benzimidazol-2-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-7-(6-nitro-1H-benzimidazol-2-yl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-7-(6-nitro-1H-benzimidazol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-7-(6-nitro-1H-benzimidazol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-7-(6-nitro-1H-benzimidazol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methyl-7-(6-nitro-1H-benzimidazol-2-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])SC1)C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(N2C(C(C2=O)C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])SC1)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C21H22N4O7S/c1-10-8-33-18-14(16-22-12-6-5-11(25(29)30)7-13(12)23-16)17(26)24(18)15(10)19(27)31-9-32-20(28)21(2,3)4/h5-7,14,18H,8-9H2,1-4H3,(H,22,23)