ethyl 2-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H25N3O3S2 MolecularWeight: 395.5394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)NC2=C(C=CS2)C(=O)OCC)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)NC2=C(C=CS2)C(=O)OCC)C)C

InChI

InChI=1S/C18H25N3O3S2/c1-5-7-9-21-13(4)12(3)19-18(21)26-11-15(22)20-16-14(8-10-25-16)17(23)24-6-2/h8,10H,5-7,9,11H2,1-4H3,(H,20,22)