3-imidazol-1-yl-2-methylsulfanyl-3-oxidanylidene-2-phenyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C1=CC=CC=C1)(C(=O)N2C=CN=C2)C(=O)O

Isomeric SMILES

CSC(C1=CC=CC=C1)(C(=O)N2C=CN=C2)C(=O)O

InChI

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