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

Systemtic Name: ethyl (4S)-2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl (4S)-2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: (4S)-2-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: (4S)-2-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=C(C=C4)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2[C@H]1C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C21H21N3O2S/c1-4-26-20(25)18-13(2)22-21-23-16-7-5-6-8-17(16)24(21)19(18)14-9-11-15(27-3)12-10-14/h5-12,19H,4H2,1-3H3,(H,22,23)/t19-/m0/s1