2-[(4-methoxycarbonylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-methoxycarbonylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-carbomethoxybenzyl)thio]propionic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-8(11(13)14)17-7-9-3-5-10(6-4-9)12(15)16-2/h3-6,8H,7H2,1-2H3,(H,13,14)