(2E)-4-acetyloxy-2-[(2-butylsulfanylphenyl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-4-acetyloxy-2-[(2-butylsulfanylphenyl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-4-acetoxy-2-[(2-butylsulfanylphenyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-4-acetyloxy-2-[[2-(butylthio)phenyl]methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-4-acetyloxy-2-[(2-butylsulfanylphenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-(2-acetoxyacetyl)-3-[2-(butylthio)phenyl]acrylic acid Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1C=C(C(=O)COC(=O)C)C(=O)O

Isomeric SMILES

CCCCSC1=CC=CC=C1/C=C(\C(=O)COC(=O)C)/C(=O)O

InChI

InChI=1S/C17H20O5S/c1-3-4-9-23-16-8-6-5-7-13(16)10-14(17(20)21)15(19)11-22-12(2)18/h5-8,10H,3-4,9,11H2,1-2H3,(H,20,21)/b14-10+