3-(4-fluorophenyl)-2-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]sulfanyl-imidazole-4-carboxylate

Systemtic Name: 3-(4-fluorophenyl)-2-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]sulfanyl-imidazole-4-carboxylate Openeye Name: 3-(4-fluorophenyl)-2-[2-(3-methoxypropylamino)-2-oxo-ethyl]sulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-4-imidazolecarboxylate IUPAC Name: 3-(4-fluorophenyl)-2-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-[[2-keto-2-(3-methoxypropylamino)ethyl]thio]imidazole-4-carboxylate Formula: C16H17FN3O4S- MolecularWeight: 366.387283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

COCCCNC(=O)CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C16H18FN3O4S/c1-24-8-2-7-18-14(21)10-25-16-19-9-13(15(22)23)20(16)12-5-3-11(17)4-6-12/h3-6,9H,2,7-8,10H2,1H3,(H,18,21)(H,22,23)/p-1