4-(3,4-dimethylphenyl)-5-ethoxy-3-methyl-5-oxidanylidene-2-sulfanylidene-pentanoic acid

Systemtic Name: 4-(3,4-dimethylphenyl)-5-ethoxy-3-methyl-5-oxidanylidene-2-sulfanylidene-pentanoic acid Openeye Name: 4-(3,4-dimethylphenyl)-5-ethoxy-3-methyl-5-oxo-2-thioxo-pentanoic acid CAS Name: 4-(3,4-dimethylphenyl)-5-ethoxy-3-methyl-5-oxo-2-sulfanylidenepentanoic acid IUPAC Name: 4-(3,4-dimethylphenyl)-5-ethoxy-3-methyl-5-oxo-2-sulfanylidenepentanoic acid Traditional Name: 4-(3,4-dimethylphenyl)-5-ethoxy-5-keto-3-methyl-2-thioxo-valeric acid Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=C(C=C1)C)C)C(C)C(=S)C(=O)O

Isomeric SMILES

CCOC(=O)C(C1=CC(=C(C=C1)C)C)C(C)C(=S)C(=O)O

InChI

InChI=1S/C16H20O4S/c1-5-20-16(19)13(11(4)14(21)15(17)18)12-7-6-9(2)10(3)8-12/h6-8,11,13H,5H2,1-4H3,(H,17,18)