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

Systemtic Name: 7-azanyl-3-(2-methylbutanoyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-(2-methylbutanoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-(2-methyl-1-oxobutyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-(2-methylbutanoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-(2-methylbutanoyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=C(N2C(C(C2=O)N)SC1)C(=O)O

Isomeric SMILES

CCC(C)C(=O)C1=C(N2C(C(C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C12H16N2O4S/c1-3-5(2)9(15)6-4-19-11-7(13)10(16)14(11)8(6)12(17)18/h5,7,11H,3-4,13H2,1-2H3,(H,17,18)