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

Systemtic Name: 2-[2-(2-methylphenyl)sulfanylethanoylamino]pentanoic acid Openeye Name: 2-[[2-(o-tolylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)sulfanylacetyl]amino]pentanoic acid Traditional Name: 2-[[2-(o-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=CC=C1C

Isomeric SMILES

CCCC(C(=O)O)NC(=O)CSC1=CC=CC=C1C

InChI

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