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

Systemtic Name: prop-2-enyl 2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-4-13-27-21(26)19-14(2)23-22-24-17-7-5-6-8-18(17)25(22)20(19)15-9-11-16(28-3)12-10-15/h4-12,20H,1,13H2,2-3H3,(H,23,24)