2-[(4Z)-1-(3,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[(4Z)-1-(3,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[(4Z)-1-(3,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylene]-5-oxo-imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4Z)-1-(3,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-imidazolyl]thio]acetate IUPAC Name: 2-[(4Z)-1-(3,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4Z)-1-(3,5-dimethylphenyl)-5-keto-4-p-anisylidene-2-imidazolin-2-yl]thio]acetate Formula: C21H19N2O4S- MolecularWeight: 395.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC)N=C2SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OC)/N=C2SCC(=O)[O-])C

InChI

InChI=1S/C21H20N2O4S/c1-13-8-14(2)10-16(9-13)23-20(26)18(22-21(23)28-12-19(24)25)11-15-4-6-17(27-3)7-5-15/h4-11H,12H2,1-3H3,(H,24,25)/p-1/b18-11-