2-benzamido-5-ethanoylsulfanyl-pentanoic acid

Systemtic Name: 2-benzamido-5-ethanoylsulfanyl-pentanoic acid Openeye Name: 5-acetylsulfanyl-2-benzamido-pentanoic acid CAS Name: 5-(acetylthio)-2-benzamidopentanoic acid IUPAC Name: 5-acetylsulfanyl-2-benzamidopentanoic acid Traditional Name: 5-(acetylthio)-2-benzamido-valeric acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC(C(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCCC(C(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17NO4S/c1-10(16)20-9-5-8-12(14(18)19)15-13(17)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,15,17)(H,18,19)