3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)methylthio]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-(p-anisylthio)propionic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C14H16N2O3S/c1-19-12-4-2-10(3-5-12)8-20-13(14(17)18)6-11-7-15-9-16-11/h2-5,7,9,13H,6,8H2,1H3,(H,15,16)(H,17,18)