2-[(4-acetamidophenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(4-acetamidophenyl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(4-acetamidophenyl)thio]methyl]benzoic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(4-acetamidophenyl)thio]methyl]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO3S/c1-11(18)17-13-6-8-14(9-7-13)21-10-12-4-2-3-5-15(12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)