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

Systemtic Name: methyl 2-ethoxy-9-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-propan-2-yl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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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)N1C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-6-31-22-23-19-18(20(26)25(22)14(2)3)13-16(21(27)30-5)11-12-24(19)32(28,29)17-9-7-15(4)8-10-17/h7-10,13-14H,6,11-12H2,1-5H3