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

Systemtic Name: 3-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 3-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 3-[[(4-acetamidophenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 3-[(4-acetamidophenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 3-[[(4-acetamidophenyl)thio]methyl]-2-furoic acid Formula: C14H13NO4S MolecularWeight: 291.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=C(OC=C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=C(OC=C2)C(=O)O

InChI

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