4-(2-acetamidophenyl)sulfanylbutanoic acid

Systemtic Name: 4-(2-acetamidophenyl)sulfanylbutanoic acid Openeye Name: 4-(2-acetamidophenyl)sulfanylbutanoic acid CAS Name: 4-[(2-acetamidophenyl)thio]butanoic acid IUPAC Name: 4-(2-acetamidophenyl)sulfanylbutanoic acid Traditional Name: 4-[(2-acetamidophenyl)thio]butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-9(14)13-10-5-2-3-6-11(10)17-8-4-7-12(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16)