7-(3-methylbutanoylamino)-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 7-(3-methylbutanoylamino)-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-(3-methylbutanoylamino)-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-methylene-7-[(3-methyl-1-oxobutyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-(3-methylbutanoylamino)-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-(isovalerylamino)-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-6(2)4-8(16)14-9-11(17)15-10(13(18)19)7(3)5-20-12(9)15/h6,9-10,12H,3-5H2,1-2H3,(H,14,16)(H,18,19)