3-(methoxymethyl)-7-(2-methylpropanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(methoxymethyl)-7-(2-methylpropanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(methoxymethyl)-7-(2-methylpropanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(methoxymethyl)-7-[(2-methyl-1-oxopropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(methoxymethyl)-7-(2-methylpropanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(isobutyrylamino)-8-keto-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1C2N(C1=O)C(=C(CS2)COC)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1C2N(C1=O)C(=C(CS2)COC)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-6(2)10(16)14-8-11(17)15-9(13(18)19)7(4-20-3)5-21-12(8)15/h6,8,12H,4-5H2,1-3H3,(H,14,16)(H,18,19)