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

Systemtic Name: 3-methylidene-7-(octanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-methylene-7-(octanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-methylene-8-oxo-7-(1-oxooctylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-methylidene-7-(octanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-(caprylylamino)-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H24N2O4S MolecularWeight: 340.43776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4S/c1-3-4-5-6-7-8-11(19)17-12-14(20)18-13(16(21)22)10(2)9-23-15(12)18/h12-13,15H,2-9H2,1H3,(H,17,19)(H,21,22)