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

Systemtic Name: 3-(4-fluorophenyl)-2-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]sulfanyl-imidazole-4-carboxylic acid Openeye Name: 3-(4-fluorophenyl)-2-[2-(3-methoxypropylamino)-2-oxo-ethyl]sulfanyl-imidazole-4-carboxylic acid CAS Name: 3-(4-fluorophenyl)-2-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-4-imidazolecarboxylic acid IUPAC Name: 3-(4-fluorophenyl)-2-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanylimidazole-4-carboxylic acid Traditional Name: 3-(4-fluorophenyl)-2-[[2-keto-2-(3-methoxypropylamino)ethyl]thio]imidazole-4-carboxylic acid Formula: C16H18FN3O4S MolecularWeight: 367.395223

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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)