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

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]-3-ethoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]-3-ethoxy-3-oxo-propanoic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]methyl]-3-ethoxy-3-oxopropanoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]methyl]-3-ethoxy-3-oxopropanoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]methyl]-3-ethoxy-3-keto-propionic acid Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O4S/c1-3-9-27-19-21-11-14(10-15(17(23)24)18(25)26-4-2)22(19)12-13-7-5-6-8-16(13)20/h5-8,11,15H,3-4,9-10,12H2,1-2H3,(H,23,24)