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

Systemtic Name: phenyl (6E)-6-[(3-methylsulfanyl-5-propan-2-ylsulfonyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-isopropylsulfonyl-5-methylsulfanyl-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[[3-(methylthio)-5-propan-2-ylsulfonylphenyl]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-propan-2-ylsulfonylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-[3-isopropylsulfonyl-5-(methylthio)benzylidene]-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C29H28N2O6S3 MolecularWeight: 596.73742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=CC(=C1)SC)C=C2CCCN3C2=NC4=C(C3=O)C=CC=C4S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O6S3/c1-19(2)39(33,34)24-17-20(16-23(18-24)38-3)15-21-9-8-14-31-28(21)30-27-25(29(31)32)12-7-13-26(27)40(35,36)37-22-10-5-4-6-11-22/h4-7,10-13,15-19H,8-9,14H2,1-3H3/b21-15+