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

Systemtic Name: 3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]oxy-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]oxy-2-methyl-3-oxo-propanoic acid CAS Name: 3-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]oxy]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]oxy-2-methyl-3-oxopropanoic acid Traditional Name: 3-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]oxy-3-keto-2-methyl-propionic acid Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)OC(=O)C(C)C(=O)O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)OC(=O)C(C)C(=O)O

InChI

InChI=1S/C17H19ClN2O4S/c1-3-8-25-17-19-9-14(24-16(23)11(2)15(21)22)20(17)10-12-6-4-5-7-13(12)18/h4-7,9,11H,3,8,10H2,1-2H3,(H,21,22)