(E)-3-[5-[(2-chlorophenyl)methyl]-2-prop-2-enylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid

Systemtic Name: (E)-3-[5-[(2-chlorophenyl)methyl]-2-prop-2-enylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-[2-allylsulfanyl-5-[(2-chlorophenyl)methyl]-1H-imidazol-4-yl]-2-(2-thienylmethyl)prop-2-enoic acid CAS Name: (E)-3-[5-[(2-chlorophenyl)methyl]-2-(prop-2-enylthio)-1H-imidazol-4-yl]-2-(thiophen-2-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-[5-[(2-chlorophenyl)methyl]-2-prop-2-enylsulfanyl-1H-imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-[2-(allylthio)-5-(2-chlorobenzyl)-1H-imidazol-4-yl]-2-(2-thenyl)acrylic acid Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=C(N1)CC2=CC=CC=C2Cl)C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

C=CCSC1=NC(=C(N1)CC2=CC=CC=C2Cl)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C21H19ClN2O2S2/c1-2-9-28-21-23-18(12-14-6-3-4-8-17(14)22)19(24-21)13-15(20(25)26)11-16-7-5-10-27-16/h2-8,10,13H,1,9,11-12H2,(H,23,24)(H,25,26)/b15-13+