methyl 2-ethoxy-9-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-phenyl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate

Systemtic Name: methyl 2-ethoxy-9-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-phenyl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Openeye Name: methyl 2-ethoxy-4-oxo-3-phenyl-9-(p-tolylsulfonyl)-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate CAS Name: 2-ethoxy-9-(4-methylphenyl)sulfonyl-4-oxo-3-phenyl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-ethoxy-9-(4-methylphenyl)sulfonyl-4-oxo-3-phenyl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Traditional Name: 2-ethoxy-4-keto-3-phenyl-9-tosyl-7,8-dihydropyrimid[4,5-b]azepine-6-carboxylic acid methyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=C(CCN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CCOC1=NC2=C(C=C(CCN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O6S/c1-4-34-25-26-22-21(23(29)28(25)19-8-6-5-7-9-19)16-18(24(30)33-3)14-15-27(22)35(31,32)20-12-10-17(2)11-13-20/h5-13,16H,4,14-15H2,1-3H3