[7-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] 2-ethylhexanoate

Systemtic Name: [7-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] 2-ethylhexanoate Openeye Name: [7-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [7-(2,2-dimethyl-1-oxopropyl)-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] ester IUPAC Name: [7-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid (8-keto-7-methoxy-3-methyl-7-pivaloyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl) ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1C(=CN2C(S1)C(C2=O)(C(=O)C(C)(C)C)OC)C

Isomeric SMILES

CCCCC(CC)C(=O)OC1C(=CN2C(S1)C(C2=O)(C(=O)C(C)(C)C)OC)C

InChI

InChI=1S/C21H33NO5S/c1-8-10-11-14(9-2)15(23)27-16-13(3)12-22-18(25)21(26-7,19(22)28-16)17(24)20(4,5)6/h12,14,16,19H,8-11H2,1-7H3