(2E)-4-butoxy-3-oxidanylidene-2-[(3-sulfanylphenyl)methylidene]butanoic acid

Systemtic Name: (2E)-4-butoxy-3-oxidanylidene-2-[(3-sulfanylphenyl)methylidene]butanoic acid Openeye Name: (2E)-4-butoxy-3-oxo-2-[(3-sulfanylphenyl)methylene]butanoic acid CAS Name: (2E)-4-butoxy-2-[(3-mercaptophenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-4-butoxy-3-oxo-2-[(3-sulfanylphenyl)methylidene]butanoic acid Traditional Name: (E)-2-(2-butoxyacetyl)-3-(3-mercaptophenyl)acrylic acid Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(=O)C(=CC1=CC(=CC=C1)S)C(=O)O

Isomeric SMILES

CCCCOCC(=O)/C(=C\C1=CC(=CC=C1)S)/C(=O)O

InChI

InChI=1S/C15H18O4S/c1-2-3-7-19-10-14(16)13(15(17)18)9-11-5-4-6-12(20)8-11/h4-6,8-9,20H,2-3,7,10H2,1H3,(H,17,18)/b13-9+