3-(4-methoxycarbonylphenyl)sulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(4-methoxycarbonylphenyl)sulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-(4-methoxycarbonylphenyl)sulfanyl-4-oxo-butanoic acid CAS Name: 3-[(4-methoxycarbonylphenyl)thio]-4-oxobutanoic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)sulfanyl-4-oxobutanoic acid Traditional Name: 3-[(4-carbomethoxyphenyl)thio]-4-keto-butyric acid Formula: C12H12O5S MolecularWeight: 268.28568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5S/c1-17-12(16)8-2-4-9(5-3-8)18-10(7-13)6-11(14)15/h2-5,7,10H,6H2,1H3,(H,14,15)