2-[(4-methoxyphenyl)methyl]-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid CAS Name: 2-[(benzoylthio)methyl]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-3-(4-methoxyphenyl)propanoic acid Traditional Name: 2-[(benzoylthio)methyl]-3-(4-methoxyphenyl)propionic acid Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O4S/c1-22-16-9-7-13(8-10-16)11-15(17(19)20)12-23-18(21)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3,(H,19,20)