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

Systemtic Name: methyl 2-[2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-phenyl-imidazol-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[(4E)-4-[(4-dimethylaminophenyl)methylene]-5-oxo-1-phenyl-imidazol-2-yl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenyl-2-imidazolyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[(4E)-4-[4-(dimethylamino)benzylidene]-5-keto-1-phenyl-2-imidazolin-2-yl]thio]propanoylamino]benzoic acid methyl ester Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O4S/c1-19(26(34)30-24-13-9-8-12-23(24)28(36)37-4)38-29-31-25(18-20-14-16-21(17-15-20)32(2)3)27(35)33(29)22-10-6-5-7-11-22/h5-19H,1-4H3,(H,30,34)/b25-18+