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

Systemtic Name: ethyl 2-ethoxy-9-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-propan-2-yl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Openeye Name: ethyl 2-ethoxy-3-isopropyl-4-oxo-9-(p-tolylsulfonyl)-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate CAS Name: 2-ethoxy-9-(4-methylphenyl)sulfonyl-4-oxo-3-propan-2-yl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethoxy-9-(4-methylphenyl)sulfonyl-4-oxo-3-propan-2-yl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Traditional Name: 2-ethoxy-3-isopropyl-4-keto-9-tosyl-7,8-dihydropyrimid[4,5-b]azepine-6-carboxylic acid ethyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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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)N1C(C)C

Isomeric SMILES

CCOC1=NC2=C(C=C(CCN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC)C(=O)N1C(C)C

InChI

InChI=1S/C23H29N3O6S/c1-6-31-22(28)17-12-13-25(33(29,30)18-10-8-16(5)9-11-18)20-19(14-17)21(27)26(15(3)4)23(24-20)32-7-2/h8-11,14-15H,6-7,12-13H2,1-5H3