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

Systemtic Name: 8-oxidanylidene-3-[(7-oxidanyl-8-oxidanylidene-isoquinolin-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(7-hydroxy-8-oxo-2-isoquinolyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(7-hydroxy-8-oxo-2-isoquinolinyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(7-hydroxy-8-oxoisoquinolin-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(7-hydroxy-8-keto-2-isoquinolyl)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)CN3C=CC4=CC=C(C(=O)C4=C3)O)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)CN3C=CC4=CC=C(C(=O)C4=C3)O)C(=O)O

InChI

InChI=1S/C17H14N2O5S/c20-12-2-1-9-3-4-18(7-11(9)16(12)22)6-10-8-25-14-5-13(21)19(14)15(10)17(23)24/h1-4,7,14,20H,5-6,8H2,(H,23,24)