methyl 4-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)C)C

InChI

InChI=1S/C21H26N4O3S/c1-5-6-11-25-14(3)13(2)22-21(25)29-12-17(26)18(20(27)28-4)19-23-15-9-7-8-10-16(15)24-19/h7-10,23-24H,5-6,11-12H2,1-4H3