8-oxidanylidene-3-[(7-oxidanyl-6-oxidanylidene-phthalazin-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-[(7-oxidanyl-6-oxidanylidene-phthalazin-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(7-hydroxy-6-oxo-phthalazin-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(7-hydroxy-6-oxo-2-phthalazinyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(7-hydroxy-6-oxophthalazin-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(7-hydroxy-6-keto-phthalazin-2-yl)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)CN3C=C4C=C(C(=O)C=C4C=N3)O)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)CN3C=C4C=C(C(=O)C=C4C=N3)O)C(=O)O

InChI

InChI=1S/C16H13N3O5S/c20-11-1-8-4-17-18(5-9(8)2-12(11)21)6-10-7-25-14-3-13(22)19(14)15(10)16(23)24/h1-2,4-5,14,21H,3,6-7H2,(H,23,24)