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

Systemtic Name: phenyl (6E)-6-[(3-ethoxy-5-methylsulfanyl-phenyl)methylidene]-11-oxidanylidene-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Openeye Name: phenyl (6E)-6-[(3-ethoxy-5-methylsulfanyl-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[[3-ethoxy-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-ethoxy-5-methylsulfanylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-[3-ethoxy-5-(methylthio)benzylidene]-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C28H26N2O5S2 MolecularWeight: 534.64644

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O5S2/c1-3-34-22-16-19(17-23(18-22)36-2)15-20-9-8-14-30-27(20)29-26-24(28(30)31)12-7-13-25(26)37(32,33)35-21-10-5-4-6-11-21/h4-7,10-13,15-18H,3,8-9,14H2,1-2H3/b20-15+