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

Systemtic Name: methyl 2-[2-[(4E)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[(4E)-4-benzylidene-5-oxo-1-phenyl-imidazol-2-yl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[(4E)-5-oxo-1-phenyl-4-(phenylmethylene)-2-imidazolyl]thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4E)-4-benzylidene-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[(4E)-4-benzal-5-keto-1-phenyl-2-imidazolin-2-yl]thio]propanoylamino]benzoic acid methyl ester Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC(=CC3=CC=CC=C3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=N/C(=C/C3=CC=CC=C3)/C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O4S/c1-18(24(31)28-22-16-10-9-15-21(22)26(33)34-2)35-27-29-23(17-19-11-5-3-6-12-19)25(32)30(27)20-13-7-4-8-14-20/h3-18H,1-2H3,(H,28,31)/b23-17+