2-[(3,4-dimethylphenyl)methylsulfanyl]-3-ethoxy-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-3-ethoxy-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-3-ethoxy-2-methyl-3-oxo-propanoic acid CAS Name: 2-[(3,4-dimethylphenyl)methylthio]-3-ethoxy-2-methyl-3-oxopropanoic acid IUPAC Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-3-ethoxy-2-methyl-3-oxopropanoic acid Traditional Name: 2-[(3,4-dimethylbenzyl)thio]-3-ethoxy-3-keto-2-methyl-propionic acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(=O)O)SCC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCOC(=O)C(C)(C(=O)O)SCC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C15H20O4S/c1-5-19-14(18)15(4,13(16)17)20-9-12-7-6-10(2)11(3)8-12/h6-8H,5,9H2,1-4H3,(H,16,17)