phenyl (6E)-6-[(3-ethoxy-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-ethoxy-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-ethoxy-5-isopropylsulfonyl-phenyl)methylene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate CAS Name: (6E)-6-[(3-ethoxy-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-ethoxy-5-propan-2-ylsulfonylphenyl)methylidene]-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonate Traditional Name: (6E)-6-(3-ethoxy-5-isopropylsulfonyl-benzylidene)-11-keto-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-4-sulfonic acid phenyl ester Formula: C30H30N2O7S2 MolecularWeight: 594.6984

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C30H30N2O7S2/c1-4-38-24-17-21(18-25(19-24)40(34,35)20(2)3)16-22-10-9-15-32-29(22)31-28-26(30(32)33)13-8-14-27(28)41(36,37)39-23-11-6-5-7-12-23/h5-8,11-14,16-20H,4,9-10,15H2,1-3H3/b22-16+