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

Systemtic Name: phenyl (6E)-6-[(3-methylsulfanyl-5-phenoxysulfonyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-methylsulfanyl-5-phenoxysulfonyl-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[[3-(methylthio)-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-methylsulfanyl-5-phenoxysulfonylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-11-keto-6-[3-(methylthio)-5-phenoxysulfonyl-benzylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C32H26N2O7S3 MolecularWeight: 646.75304

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=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

CSC1=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/C32H26N2O7S3/c1-42-26-19-22(20-27(21-26)43(36,37)40-24-11-4-2-5-12-24)18-23-10-9-17-34-31(23)33-30-28(32(34)35)15-8-16-29(30)44(38,39)41-25-13-6-3-7-14-25/h2-8,11-16,18-21H,9-10,17H2,1H3/b23-18+