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

Systemtic Name: phenyl (6E)-6-[(3-ethoxy-5-iodanyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-ethoxy-5-iodo-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[(3-ethoxy-5-iodophenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester IUPAC Name: phenyl (6E)-6-[(3-ethoxy-5-iodophenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-(3-ethoxy-5-iodo-benzylidene)-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C27H23IN2O5S MolecularWeight: 614.45139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C=C2CCCN3C2=NC4=C(C3=O)C=CC=C4S(=O)(=O)OC5=CC=CC=C5)I

Isomeric SMILES

CCOC1=CC(=CC(=C1)/C=C/2\CCCN3C2=NC4=C(C3=O)C=CC=C4S(=O)(=O)OC5=CC=CC=C5)I

InChI

InChI=1S/C27H23IN2O5S/c1-2-34-22-16-18(15-20(28)17-22)14-19-8-7-13-30-26(19)29-25-23(27(30)31)11-6-12-24(25)36(32,33)35-21-9-4-3-5-10-21/h3-6,9-12,14-17H,2,7-8,13H2,1H3/b19-14+