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

Systemtic Name: ethyl 2-ethoxy-9-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-phenyl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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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)OCC)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O6S/c1-4-34-25(31)19-15-16-28(36(32,33)21-13-11-18(3)12-14-21)23-22(17-19)24(30)29(26(27-23)35-5-2)20-9-7-6-8-10-20/h6-14,17H,4-5,15-16H2,1-3H3