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

Systemtic Name: 7-(3-carboxypentanoylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(3-carboxypentanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(3-carboxy-1-oxopentyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(3-carboxypentanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(3-carboxypentanoylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6S/c1-3-7(13(19)20)4-8(17)15-9-11(18)16-10(14(21)22)6(2)5-23-12(9)16/h7,9,12H,3-5H2,1-2H3,(H,15,17)(H,19,20)(H,21,22)