3-[6-acetamido-2-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-3-yl]propanoic acid

Systemtic Name: 3-[6-acetamido-2-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-3-yl]propanoic acid Openeye Name: 3-[6-acetamido-2-(4-methylsulfanylbenzoyl)benzofuran-3-yl]propanoic acid CAS Name: 3-[6-acetamido-2-[[4-(methylthio)phenyl]-oxomethyl]-3-benzofuranyl]propanoic acid IUPAC Name: 3-[6-acetamido-2-(4-methylsulfanylbenzoyl)-1-benzofuran-3-yl]propanoic acid Traditional Name: 3-[6-acetamido-2-[4-(methylthio)benzoyl]benzofuran-3-yl]propionic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)SC)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)SC)CCC(=O)O

InChI

InChI=1S/C21H19NO5S/c1-12(23)22-14-5-8-16-17(9-10-19(24)25)21(27-18(16)11-14)20(26)13-3-6-15(28-2)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,22,23)(H,24,25)