3-(acetyloxymethyl)-7-(1-azanylprop-2-enyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-(1-azanylprop-2-enyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-(1-aminoallyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-(1-aminoprop-2-enyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-(1-aminoprop-2-enyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-(1-aminoallyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)C(C=C)N)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)C(C=C)N)SC1)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-3-8(14)9-11(17)15-10(13(18)19)7(4-20-6(2)16)5-21-12(9)15/h3,8-9,12H,1,4-5,14H2,2H3,(H,18,19)