2-(5-cyano-4-methylsulfanyl-6-oxidanylidene-2-phenyl-pyran-3-yl)ethanoic acid

Systemtic Name: 2-(5-cyano-4-methylsulfanyl-6-oxidanylidene-2-phenyl-pyran-3-yl)ethanoic acid Openeye Name: 2-(5-cyano-4-methylsulfanyl-6-oxo-2-phenyl-pyran-3-yl)acetic acid CAS Name: 2-[5-cyano-4-(methylthio)-6-oxo-2-phenyl-3-pyranyl]acetic acid IUPAC Name: 2-(5-cyano-4-methylsulfanyl-6-oxo-2-phenylpyran-3-yl)acetic acid Traditional Name: 2-[5-cyano-6-keto-4-(methylthio)-2-phenyl-pyran-3-yl]acetic acid Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)OC(=C1CC(=O)O)C2=CC=CC=C2)C#N

Isomeric SMILES

CSC1=C(C(=O)OC(=C1CC(=O)O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C15H11NO4S/c1-21-14-10(7-12(17)18)13(9-5-3-2-4-6-9)20-15(19)11(14)8-16/h2-6H,7H2,1H3,(H,17,18)