4-[[2-butyl-5-[(Z)-3-oxidanyl-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]-2-chloranyl-benzoic acid

Systemtic Name: 4-[[2-butyl-5-[(Z)-3-oxidanyl-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]-2-chloranyl-benzoic acid Openeye Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-oxo-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]-2-chloro-benzoic acid CAS Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-oxo-2-thiophen-2-ylprop-1-enyl]-1-imidazolyl]methyl]-2-chlorobenzoic acid IUPAC Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-oxo-2-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]-2-chlorobenzoic acid Traditional Name: 4-[[2-butyl-5-[(Z)-3-hydroxy-3-keto-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]-2-chloro-benzoic acid Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC(=C(C=C2)C(=O)O)Cl)C=C(C3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC(=C(C=C2)C(=O)O)Cl)/C=C(\C3=CC=CS3)/C(=O)O

InChI

InChI=1S/C22H21ClN2O4S/c1-2-3-6-20-24-12-15(11-17(22(28)29)19-5-4-9-30-19)25(20)13-14-7-8-16(21(26)27)18(23)10-14/h4-5,7-12H,2-3,6,13H2,1H3,(H,26,27)(H,28,29)/b17-11+