(3E)-3-[(4-methylsulfanylphenyl)methylidene]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3E)-3-[(4-methylsulfanylphenyl)methylidene]-4-oxidanylidene-pentanoic acid Openeye Name: (3E)-3-[(4-methylsulfanylphenyl)methylene]-4-oxo-pentanoic acid CAS Name: (3E)-3-[[4-(methylthio)phenyl]methylidene]-4-oxopentanoic acid IUPAC Name: (3E)-3-[(4-methylsulfanylphenyl)methylidene]-4-oxopentanoic acid Traditional Name: (E)-3-acetyl-4-[4-(methylthio)phenyl]but-3-enoic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3S/c1-9(14)11(8-13(15)16)7-10-3-5-12(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16)/b11-7+