[(E)-3-(7-oxidanyl-6-oxidanylidene-phthalazin-2-yl)prop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [(E)-3-(7-oxidanyl-6-oxidanylidene-phthalazin-2-yl)prop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(E)-3-(7-hydroxy-6-oxo-phthalazin-2-yl)prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-3-(7-hydroxy-6-oxo-2-phthalazinyl)prop-1-enyl] ester IUPAC Name: [(E)-3-(7-hydroxy-6-oxophthalazin-2-yl)prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-3-(7-hydroxy-6-keto-phthalazin-2-yl)prop-1-enyl] ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OC=CCN3C=C4C=C(C(=O)C=C4C=N3)O

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)O/C=C/CN3C=C4C=C(C(=O)C=C4C=N3)O

InChI

InChI=1S/C18H15N3O5S/c22-14-6-11-9-19-20(10-12(11)7-15(14)23)3-1-4-26-18(25)13-2-5-27-17-8-16(24)21(13)17/h1-2,4,6-7,9-10,17,23H,3,5,8H2/b4-1+