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

Systemtic Name: phenyl (6E)-6-[(3-ethoxy-5-phenoxysulfonyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-ethoxy-5-phenoxysulfonyl-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[(3-ethoxy-5-phenoxysulfonylphenyl)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-phenoxysulfonylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-(3-ethoxy-5-phenoxysulfonyl-benzylidene)-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C33H28N2O8S2 MolecularWeight: 644.71402

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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)S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

CCOC1=CC(=CC(=C1)/C=C/2\CCCN3C2=NC4=C(C3=O)C=CC=C4S(=O)(=O)OC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C33H28N2O8S2/c1-2-41-27-20-23(21-28(22-27)44(37,38)42-25-12-5-3-6-13-25)19-24-11-10-18-35-32(24)34-31-29(33(35)36)16-9-17-30(31)45(39,40)43-26-14-7-4-8-15-26/h3-9,12-17,19-22H,2,10-11,18H2,1H3/b24-19+