5-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-acetamidophenyl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-acetamidophenyl)thio]methyl]-2-furoate Formula: C14H12NO4S- MolecularWeight: 290.31438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C14H13NO4S/c1-9(16)15-10-2-5-12(6-3-10)20-8-11-4-7-13(19-11)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)/p-1