2-[(4-acetamidophenyl)sulfanylmethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfanylmethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[(4-acetamidophenyl)sulfanylmethyl]-5-phenyl-pentanoic acid CAS Name: 2-[[(4-acetamidophenyl)thio]methyl]-5-phenylpentanoic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfanylmethyl]-5-phenylpentanoic acid Traditional Name: 2-[[(4-acetamidophenyl)thio]methyl]-5-phenyl-valeric acid Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO3S/c1-15(22)21-18-10-12-19(13-11-18)25-14-17(20(23)24)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,17H,5,8-9,14H2,1H3,(H,21,22)(H,23,24)