(Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-thiophen-2-yl-but-2-enoic acid

Systemtic Name: (Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-thiophen-2-yl-but-2-enoic acid Openeye Name: (Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-(2-thienyl)but-2-enoic acid CAS Name: (Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-thiophen-2-yl-2-butenoic acid IUPAC Name: (Z)-3-[2-butyl-3-[(2-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-thiophen-2-ylbut-2-enoic acid Traditional Name: (Z)-3-[2-butyl-1-(2-nitrobenzyl)-4-imidazolin-4-yl]-2-(2-thienyl)but-2-enoic acid Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=CC=CC=C2[N+](=O)[O-])C(=C(C3=CC=CS3)C(=O)O)C

Isomeric SMILES

CCCCC1NC(=CN1CC2=CC=CC=C2[N+](=O)[O-])/C(=C(\C3=CC=CS3)/C(=O)O)/C

InChI

InChI=1S/C22H25N3O4S/c1-3-4-11-20-23-17(15(2)21(22(26)27)19-10-7-12-30-19)14-24(20)13-16-8-5-6-9-18(16)25(28)29/h5-10,12,14,20,23H,3-4,11,13H2,1-2H3,(H,26,27)/b21-15+