3-[(4-acetamidophenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-acetamidophenyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-acetamidophenyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-acetamidophenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-acetamidophenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-acetamidophenyl)thio]methyl]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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