2-[[2-[1-(2-chlorophenyl)but-3-en-2-ylsulfanyl]-1H-imidazol-5-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[1-(2-chlorophenyl)but-3-en-2-ylsulfanyl]-1H-imidazol-5-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[1-[(2-chlorophenyl)methyl]allylsulfanyl]-1H-imidazole-5-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[1-(2-chlorophenyl)but-3-en-2-ylthio]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[1-(2-chlorophenyl)but-3-en-2-ylsulfanyl]-1H-imidazole-5-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[1-(2-chlorobenzyl)allylthio]-1H-imidazole-5-carbonyl]amino]-3-phenyl-propionic acid Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC1=CC=CC=C1Cl)SC2=NC=C(N2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=CC(CC1=CC=CC=C1Cl)SC2=NC=C(N2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H22ClN3O3S/c1-2-17(13-16-10-6-7-11-18(16)24)31-23-25-14-20(27-23)21(28)26-19(22(29)30)12-15-8-4-3-5-9-15/h2-11,14,17,19H,1,12-13H2,(H,25,27)(H,26,28)(H,29,30)