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

Systemtic Name: 4-[[2-butyl-5-[(Z)-3-methoxy-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]-1,2-dihydroimidazol-3-yl]methyl]-3-chloranyl-benzoic acid Openeye Name: 4-[[2-butyl-5-[(Z)-3-methoxy-3-oxo-2-(2-thienyl)prop-1-enyl]-1,2-dihydroimidazol-3-yl]methyl]-3-chloro-benzoic acid CAS Name: 4-[[2-butyl-5-[(Z)-3-methoxy-3-oxo-2-thiophen-2-ylprop-1-enyl]-1,2-dihydroimidazol-3-yl]methyl]-3-chlorobenzoic acid IUPAC Name: 4-[[2-butyl-5-[(Z)-3-methoxy-3-oxo-2-thiophen-2-ylprop-1-enyl]-1,2-dihydroimidazol-3-yl]methyl]-3-chlorobenzoic acid Traditional Name: 4-[[2-butyl-4-[(Z)-3-keto-3-methoxy-2-(2-thienyl)prop-1-enyl]-4-imidazolin-1-yl]methyl]-3-chloro-benzoic acid Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=C(C=C(C=C2)C(=O)O)Cl)C=C(C3=CC=CS3)C(=O)OC

Isomeric SMILES

CCCCC1NC(=CN1CC2=C(C=C(C=C2)C(=O)O)Cl)/C=C(\C3=CC=CS3)/C(=O)OC

InChI

InChI=1S/C23H25ClN2O4S/c1-3-4-7-21-25-17(12-18(23(29)30-2)20-6-5-10-31-20)14-26(21)13-16-9-8-15(22(27)28)11-19(16)24/h5-6,8-12,14,21,25H,3-4,7,13H2,1-2H3,(H,27,28)/b18-12+