tert-butyl 2-[(4Z)-1-(4-fluorophenyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC(=CC2=CC=CC=C2)C(=O)N1C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O3S/c1-22(2,3)28-19(26)14-29-21-24-18(13-15-7-5-4-6-8-15)20(27)25(21)17-11-9-16(23)10-12-17/h4-13H,14H2,1-3H3/b18-13-