ethyl 2-[(4E)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[(4E)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[(4E)-4-benzylidene-5-oxo-1-phenyl-imidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[(4E)-5-oxo-1-phenyl-4-(phenylmethylene)-2-imidazolyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-4-benzylidene-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[(4E)-4-benzal-5-keto-1-phenyl-2-imidazolin-2-yl]thio]propionic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=CC2=CC=CC=C2)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)SC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-3-26-20(25)15(2)27-21-22-18(14-16-10-6-4-7-11-16)19(24)23(21)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3/b18-14+