phenyl (6E)-6-[(3-methoxy-5-oxidanyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate

Systemtic Name: phenyl (6E)-6-[(3-methoxy-5-oxidanyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-hydroxy-5-methoxy-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[(3-hydroxy-5-methoxyphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester IUPAC Name: phenyl (6E)-6-[(3-hydroxy-5-methoxyphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-(3-hydroxy-5-methoxy-benzylidene)-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C26H22N2O6S MolecularWeight: 490.52768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)O)C=C2CCCN3C2=NC4=C(C3=O)C=CC=C4S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1)O)/C=C/2\CCCN3C2=NC4=C(C3=O)C=CC=C4S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O6S/c1-33-21-15-17(14-19(29)16-21)13-18-7-6-12-28-25(18)27-24-22(26(28)30)10-5-11-23(24)35(31,32)34-20-8-3-2-4-9-20/h2-5,8-11,13-16,29H,6-7,12H2,1H3/b18-13+