2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazole-4-carbonyl]amino]acetic acid CAS Name: 2-[[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazole-4-carbonyl]amino]acetic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)imidazole-4-carbonyl]amino]acetic acid Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3S/c1-2-7-24-16-19-8-13(15(23)18-9-14(21)22)20(16)10-11-5-3-4-6-12(11)17/h3-6,8H,2,7,9-10H2,1H3,(H,18,23)(H,21,22)