[(Z)-1-(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: [(Z)-1-(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: [(Z)-1-(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 [(Z)-1-(7-hydroxy-6-oxo-2-phthalazinyl)prop-1-enyl] ester IUPAC Name: [(Z)-1-(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 [(Z)-1-(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:

CC=C(N1C=C2C=C(C(=O)C=C2C=N1)O)OC(=O)C3=CCSC4N3C(=O)C4

Isomeric SMILES

C/C=C(/N1C=C2C=C(C(=O)C=C2C=N1)O)\OC(=O)C3=CCSC4N3C(=O)C4

InChI

InChI=1S/C18H15N3O5S/c1-2-16(20-9-11-6-14(23)13(22)5-10(11)8-19-20)26-18(25)12-3-4-27-17-7-15(24)21(12)17/h2-3,5-6,8-9,17,23H,4,7H2,1H3/b16-2-