(2E)-2-[(2-methylsulfanylpyridin-3-yl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(2-methylsulfanylpyridin-3-yl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(2-methylsulfanyl-3-pyridyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[[2-(methylthio)-3-pyridinyl]methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(2-methylsulfanylpyridin-3-yl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-[2-(methylthio)-3-pyridyl]acrylic acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C(N=CC=C1)SC)C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=C(N=CC=C1)SC)/C(=O)O

InChI

InChI=1S/C11H11NO3S/c1-7(13)9(11(14)15)6-8-4-3-5-12-10(8)16-2/h3-6H,1-2H3,(H,14,15)/b9-6+