2-[2-(4-methylphenyl)sulfanylethanoylamino]pentanoic acid

Systemtic Name: 2-[2-(4-methylphenyl)sulfanylethanoylamino]pentanoic acid Openeye Name: 2-[[2-(p-tolylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-[[2-(4-methylphenyl)sulfanylacetyl]amino]pentanoic acid Traditional Name: 2-[[2-(p-tolylthio)acetyl]amino]valeric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)C

InChI

InChI=1S/C14H19NO3S/c1-3-4-12(14(17)18)15-13(16)9-19-11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)