5-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-acetamidophenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-acetamidophenyl)thio]methyl]-2-furoic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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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)