2-[(2-methylsulfanylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 2-[(2-methylsulfanylphenyl)carbonylamino]pentanoic acid Openeye Name: 2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid CAS Name: 2-[[[2-(methylthio)phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid Traditional Name: 2-[[2-(methylthio)benzoyl]amino]valeric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CCCC(C(=O)O)NC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C13H17NO3S/c1-3-6-10(13(16)17)14-12(15)9-7-4-5-8-11(9)18-2/h4-5,7-8,10H,3,6H2,1-2H3,(H,14,15)(H,16,17)