4-[[2-(3-chloranyl-1-benzothiophen-2-yl)-1-(4-ethoxyphenyl)-5-oxidanylidene-imidazol-4-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[2-(3-chloranyl-1-benzothiophen-2-yl)-1-(4-ethoxyphenyl)-5-oxidanylidene-imidazol-4-ylidene]methyl]benzoic acid Openeye Name: 4-[[2-(3-chlorobenzothiophen-2-yl)-1-(4-ethoxyphenyl)-5-oxo-imidazol-4-ylidene]methyl]benzoic acid CAS Name: 4-[[2-(3-chloro-1-benzothiophen-2-yl)-1-(4-ethoxyphenyl)-5-oxo-4-imidazolylidene]methyl]benzoic acid IUPAC Name: 4-[[2-(3-chloro-1-benzothiophen-2-yl)-1-(4-ethoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]benzoic acid Traditional Name: 4-[[2-(3-chlorobenzothiophen-2-yl)-5-keto-1-p-phenetyl-2-imidazolin-4-ylidene]methyl]benzoic acid Formula: C27H19ClN2O4S MolecularWeight: 502.96876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)C(=O)O)C2=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)C(=O)O)C2=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C27H19ClN2O4S/c1-2-34-19-13-11-18(12-14-19)30-25(24-23(28)20-5-3-4-6-22(20)35-24)29-21(26(30)31)15-16-7-9-17(10-8-16)27(32)33/h3-15H,2H2,1H3,(H,32,33)