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

Systemtic Name: methyl 2-methoxy-9-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-propan-2-yl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Openeye Name: methyl 3-isopropyl-2-methoxy-4-oxo-9-(p-tolylsulfonyl)-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate CAS Name: 2-methoxy-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-methoxy-9-(4-methylphenyl)sulfonyl-4-oxo-3-propan-2-yl-7,8-dihydropyrimido[4,5-b]azepine-6-carboxylate Traditional Name: 3-isopropyl-4-keto-2-methoxy-9-tosyl-7,8-dihydropyrimid[4,5-b]azepine-6-carboxylic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-13(2)24-19(25)17-12-15(20(26)29-4)10-11-23(18(17)22-21(24)30-5)31(27,28)16-8-6-14(3)7-9-16/h6-9,12-13H,10-11H2,1-5H3