[(E)-3-(7-oxidanyl-6-oxidanylidene-isoquinolin-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-isoquinolin-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-2-isoquinolyl)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-isoquinolinyl)prop-1-enyl] ester IUPAC Name: [(E)-3-(7-hydroxy-6-oxoisoquinolin-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-2-isoquinolyl)prop-1-enyl] ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OC=CCN3C=CC4=CC(=O)C(=CC4=C3)O

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)O/C=C/CN3C=CC4=CC(=O)C(=CC4=C3)O

InChI

InChI=1S/C19H16N2O5S/c22-15-8-12-2-5-20(11-13(12)9-16(15)23)4-1-6-26-19(25)14-3-7-27-18-10-17(24)21(14)18/h1-3,5-6,8-9,11,18,23H,4,7,10H2/b6-1+