(6S)-8-oxidanylidene-7-(propanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-8-oxidanylidene-7-(propanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-8-oxo-7-(propanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-8-oxo-7-(1-oxopropylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-8-oxo-7-(propanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-8-keto-7-propionamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1C2N(C1=O)C(=CCS2)C(=O)O

Isomeric SMILES

CCC(=O)NC1[C@H]2N(C1=O)C(=CCS2)C(=O)O

InChI

InChI=1S/C10H12N2O4S/c1-2-6(13)11-7-8(14)12-5(10(15)16)3-4-17-9(7)12/h3,7,9H,2,4H2,1H3,(H,11,13)(H,15,16)/t7?,9-/m0/s1