2-[4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-benzyl-4-[(4-methoxyphenyl)methylene]-5-oxo-imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[4-[(4-methoxyphenyl)methylidene]-5-oxo-1-(phenylmethyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-benzyl-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[(1-benzyl-5-keto-4-p-anisylidene-2-imidazolin-2-yl)thio]acetic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-26-16-9-7-14(8-10-16)11-17-19(25)22(12-15-5-3-2-4-6-15)20(21-17)27-13-18(23)24/h2-11H,12-13H2,1H3,(H,23,24)