2-[(4-acetamidophenyl)methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[(4-acetamidophenyl)methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(4-acetamidophenyl)methyl]-5-sulfanyl-pentanoic acid CAS Name: 2-[(4-acetamidophenyl)methyl]-5-mercaptopentanoic acid IUPAC Name: 2-[(4-acetamidophenyl)methyl]-5-sulfanylpentanoic acid Traditional Name: 2-(4-acetamidobenzyl)-5-mercapto-valeric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(CCCS)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(CCCS)C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-10(16)15-13-6-4-11(5-7-13)9-12(14(17)18)3-2-8-19/h4-7,12,19H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)