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

Systemtic Name: 2-azanyl-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-3-oxo-propanoic acid CAS Name: 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-3-oxopropanoic acid IUPAC Name: 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]-3-oxopropanoic acid Traditional Name: 2-amino-3-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]-3-keto-propionic 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)C(C(=O)O)N

Isomeric SMILES

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

InChI

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