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

Systemtic Name: phenyl (6E)-6-[(3-methoxy-5-methylsulfanyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-methoxy-5-methylsulfanyl-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[[3-methoxy-5-(methylthio)phenyl]methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester IUPAC Name: phenyl (6E)-6-[(3-methoxy-5-methylsulfanylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-11-keto-6-[3-methoxy-5-(methylthio)benzylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C27H24N2O5S2 MolecularWeight: 520.61986

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O5S2/c1-33-21-15-18(16-22(17-21)35-2)14-19-8-7-13-29-26(19)28-25-23(27(29)30)11-6-12-24(25)36(31,32)34-20-9-4-3-5-10-20/h3-6,9-12,14-17H,7-8,13H2,1-2H3/b19-14+