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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N2C3=CC=CC=C3N=C2N(C1=O)CCC(C)C)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1C(N2C3=CC=CC=C3N=C2N(C1=O)CCC(C)C)C4=CC=CS4

InChI

InChI=1S/C22H25N3O3S/c1-4-28-21(27)18-19(17-10-7-13-29-17)25-16-9-6-5-8-15(16)23-22(25)24(20(18)26)12-11-14(2)3/h5-10,13-14,18-19H,4,11-12H2,1-3H3