2-methanoyl-4-[2-(4-methoxycarbonylphenyl)ethylsulfanyl]butanoic acid

Systemtic Name: 2-methanoyl-4-[2-(4-methoxycarbonylphenyl)ethylsulfanyl]butanoic acid Openeye Name: 2-formyl-4-[2-(4-methoxycarbonylphenyl)ethylsulfanyl]butanoic acid CAS Name: 2-formyl-4-[2-(4-methoxycarbonylphenyl)ethylthio]butanoic acid IUPAC Name: 2-formyl-4-[2-(4-methoxycarbonylphenyl)ethylsulfanyl]butanoic acid Traditional Name: 4-[2-(4-carbomethoxyphenyl)ethylthio]-2-formyl-butyric acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-20-15(19)12-4-2-11(3-5-12)6-8-21-9-7-13(10-16)14(17)18/h2-5,10,13H,6-9H2,1H3,(H,17,18)