3-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]phenoxy]-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]phenoxy]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]phenoxy]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[2-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]phenoxy]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]phenoxy]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[2-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]phenoxy]-3-keto-2-methyl-propionic acid Formula: C23H23ClN2O4S MolecularWeight: 458.95772

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C3=CC=CC=C3OC(=O)C(C)C(=O)O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C3=CC=CC=C3OC(=O)C(C)C(=O)O

InChI

InChI=1S/C23H23ClN2O4S/c1-3-12-31-23-25-13-19(26(23)14-16-8-4-6-10-18(16)24)17-9-5-7-11-20(17)30-22(29)15(2)21(27)28/h4-11,13,15H,3,12,14H2,1-2H3,(H,27,28)