2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-oxidanylidene-3-phenyl-propanoic acid Openeye Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-oxo-3-phenyl-propanoic acid CAS Name: 2-[[(1-methyl-2-imidazolyl)thio]methyl]-3-oxo-3-phenylpropanoic acid IUPAC Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-oxo-3-phenylpropanoic acid Traditional Name: 3-keto-2-[[(1-methylimidazol-2-yl)thio]methyl]-3-phenyl-propionic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC(C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-16-8-7-15-14(16)20-9-11(13(18)19)12(17)10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H,18,19)