2-[7-[(4-methylsulfanylphenyl)methyl]-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-methylsulfanylphenyl)methyl]-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[7-[(4-methylsulfanylphenyl)methyl]benzofuran-5-yl]acetic acid CAS Name: 2-[7-[[4-(methylthio)phenyl]methyl]-5-benzofuranyl]acetic acid IUPAC Name: 2-[7-[(4-methylsulfanylphenyl)methyl]-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[7-[4-(methylthio)benzyl]benzofuran-5-yl]acetic acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2=C3C(=CC(=C2)CC(=O)O)C=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)CC2=C3C(=CC(=C2)CC(=O)O)C=CO3

InChI

InChI=1S/C18H16O3S/c1-22-16-4-2-12(3-5-16)8-15-10-13(11-17(19)20)9-14-6-7-21-18(14)15/h2-7,9-10H,8,11H2,1H3,(H,19,20)