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

Systemtic Name: phenyl (6E)-6-[(3-iodanyl-5-methoxy-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-iodo-5-methoxy-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[(3-iodo-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-iodo-5-methoxyphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-(3-iodo-5-methoxy-benzylidene)-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C26H21IN2O5S MolecularWeight: 600.42481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21IN2O5S/c1-33-21-15-17(14-19(27)16-21)13-18-7-6-12-29-25(18)28-24-22(26(29)30)10-5-11-23(24)35(31,32)34-20-8-3-2-4-9-20/h2-5,8-11,13-16H,6-7,12H2,1H3/b18-13+