5-(4-acetamidophenyl)sulfanylpentanoate

Systemtic Name: 5-(4-acetamidophenyl)sulfanylpentanoate Openeye Name: 5-(4-acetamidophenyl)sulfanylpentanoate CAS Name: 5-[(4-acetamidophenyl)thio]pentanoate IUPAC Name: 5-(4-acetamidophenyl)sulfanylpentanoate Traditional Name: 5-[(4-acetamidophenyl)thio]valerate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCCCCC(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCCCCC(=O)[O-]

InChI

InChI=1S/C13H17NO3S/c1-10(15)14-11-5-7-12(8-6-11)18-9-3-2-4-13(16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H,16,17)/p-1