ethyl 4-[(4Z)-1-(4-fluorophenyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[(4Z)-1-(4-fluorophenyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanylbutanoate CAS Name: 4-[[(4Z)-1-(4-fluorophenyl)-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylbutanoate Traditional Name: 4-[[(4Z)-4-benzal-1-(4-fluorophenyl)-5-keto-2-imidazolin-2-yl]thio]butyric acid ethyl ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC(=CC2=CC=CC=C2)C(=O)N1C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CCCSC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O3S/c1-2-28-20(26)9-6-14-29-22-24-19(15-16-7-4-3-5-8-16)21(27)25(22)18-12-10-17(23)11-13-18/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3/b19-15-