2-methoxyethyl 2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: 2-methoxyethyl 2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: 2-methoxyethyl 2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 2-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid 2-methoxyethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)SC)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)SC)C(=O)OCCOC

InChI

InChI=1S/C22H23N3O3S/c1-14-19(21(26)28-13-12-27-2)20(15-8-10-16(29-3)11-9-15)25-18-7-5-4-6-17(18)24-22(25)23-14/h4-11,20H,12-13H2,1-3H3,(H,23,24)