methyl 4-[2-[(5E)-4-oxidanylidene-1-phenyl-5-(phenylmethylidene)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(5E)-4-oxidanylidene-1-phenyl-5-(phenylmethylidene)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5E)-5-benzylidene-4-oxo-1-phenyl-imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[(5E)-4-oxo-1-phenyl-5-(phenylmethylene)-2-imidazolyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5E)-5-benzylidene-4-oxo-1-phenylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[(5E)-5-benzal-4-keto-1-phenyl-2-imidazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=CC3=CC=CC=C3)N2C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)/C(=C\C3=CC=CC=C3)/N2C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O4S/c1-33-25(32)19-12-14-20(15-13-19)27-23(30)17-34-26-28-24(31)22(16-18-8-4-2-5-9-18)29(26)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,27,30)/b22-16+