ethyl 2-[(4Z)-5-oxidanylidene-1-(phenylmethyl)-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[(4Z)-5-oxidanylidene-1-(phenylmethyl)-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[(4Z)-1-benzyl-4-benzylidene-5-oxo-imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4Z)-5-oxo-1-(phenylmethyl)-4-(phenylmethylene)-2-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4Z)-1-benzyl-4-benzylidene-5-oxoimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4Z)-4-benzal-1-benzyl-5-keto-2-imidazolin-2-yl]thio]acetic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC2=CC=CC=C2)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-2-26-19(24)15-27-21-22-18(13-16-9-5-3-6-10-16)20(25)23(21)14-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3/b18-13-