(6S)-7-methoxy-3-methylidene-8-oxidanylidene-7-(propanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: (6S)-7-methoxy-3-methylidene-8-oxidanylidene-7-(propanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: (6S)-7-methoxy-3-methylene-8-oxo-7-(propanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: (6S)-7-methoxy-3-methylene-8-oxo-7-(1-oxopropylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: (6S)-7-methoxy-3-methylidene-8-oxo-7-(propanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: (6S)-8-keto-7-methoxy-3-methylene-7-propionamido-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1(C2N(C1=O)C(C(=C)CS2)C(=O)O)OC

Isomeric SMILES

CCC(=O)NC1([C@H]2N(C1=O)C(C(=C)CS2)C(=O)O)OC

InChI

InChI=1S/C12H16N2O5S/c1-4-7(15)13-12(19-3)10(18)14-8(9(16)17)6(2)5-20-11(12)14/h8,11H,2,4-5H2,1,3H3,(H,13,15)(H,16,17)/t8?,11-,12?/m0/s1