3-(2-methylsulfanylimidazol-1-yl)-3-oxidanylidene-2-phenyl-propanoic acid

Systemtic Name: 3-(2-methylsulfanylimidazol-1-yl)-3-oxidanylidene-2-phenyl-propanoic acid Openeye Name: 3-(2-methylsulfanylimidazol-1-yl)-3-oxo-2-phenyl-propanoic acid CAS Name: 3-[2-(methylthio)-1-imidazolyl]-3-oxo-2-phenylpropanoic acid IUPAC Name: 3-(2-methylsulfanylimidazol-1-yl)-3-oxo-2-phenylpropanoic acid Traditional Name: 3-keto-3-[2-(methylthio)imidazol-1-yl]-2-phenyl-propionic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN1C(=O)C(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CSC1=NC=CN1C(=O)C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H12N2O3S/c1-19-13-14-7-8-15(13)11(16)10(12(17)18)9-5-3-2-4-6-9/h2-8,10H,1H3,(H,17,18)