ethyl 1-butyl-4-(3-methylthiophen-2-yl)-2-oxidanylidene-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 1-butyl-4-(3-methylthiophen-2-yl)-2-oxidanylidene-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 1-butyl-4-(3-methyl-2-thienyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 1-butyl-4-(3-methyl-2-thiophenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 1-butyl-2-keto-4-(3-methyl-2-thienyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(N2C1=NC3=CC=CC=C32)C4=C(C=CS4)C)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C(C(N2C1=NC3=CC=CC=C32)C4=C(C=CS4)C)C(=O)OCC

InChI

InChI=1S/C22H25N3O3S/c1-4-6-12-24-20(26)17(21(27)28-5-2)18(19-14(3)11-13-29-19)25-16-10-8-7-9-15(16)23-22(24)25/h7-11,13,17-18H,4-6,12H2,1-3H3