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

Systemtic Name: methyl 2-methoxy-9-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-phenyl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Openeye Name: methyl 2-methoxy-4-oxo-3-phenyl-9-(p-tolylsulfonyl)-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate CAS Name: 2-methoxy-9-(4-methylphenyl)sulfonyl-4-oxo-3-phenyl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-methoxy-9-(4-methylphenyl)sulfonyl-4-oxo-3-phenyl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Traditional Name: 4-keto-2-methoxy-3-phenyl-9-tosyl-7,8-dihydropyrimid[4,5-b]azepine-6-carboxylic acid methyl ester Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=C2N=C(N(C3=O)C4=CC=CC=C4)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=C2N=C(N(C3=O)C4=CC=CC=C4)OC)C(=O)OC

InChI

InChI=1S/C24H23N3O6S/c1-16-9-11-19(12-10-16)34(30,31)26-14-13-17(23(29)32-2)15-20-21(26)25-24(33-3)27(22(20)28)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3