[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C18H16FN3O4S MolecularWeight: 389.400743

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H16FN3O4S/c1-27-18-21-10-15(22(18)13-6-4-12(19)5-7-13)17(24)26-11-16(23)20-9-14-3-2-8-25-14/h2-8,10H,9,11H2,1H3,(H,20,23)