2-[(4-acetamidophenyl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[(4-acetamidophenyl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[(4-acetamidophenyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[(4-acetamidophenyl)thio]methyl]-3-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=C(C=CO2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=C(C=CO2)C(=O)O

InChI

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