(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H18N2O3S2/c1-25-19-20-13-15(21(19)14-7-3-2-4-8-14)18(23)24-11-5-9-16(22)17-10-6-12-26-17/h2-4,6-8,10,12-13H,5,9,11H2,1H3