methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(1-propylimidazol-2-yl)sulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(1-propylimidazol-2-yl)sulfanyl-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-propylimidazol-2-yl)sulfanyl-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(1-propyl-2-imidazolyl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-propylimidazol-2-yl)sulfanylbutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(1-propylimidazol-2-yl)thio]butyric acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C18H20N4O3S/c1-3-9-22-10-8-19-18(22)26-11-14(23)15(17(24)25-2)16-20-12-6-4-5-7-13(12)21-16/h4-8,10,20-21H,3,9,11H2,1-2H3