2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylhexanoic acid

Systemtic Name: 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylhexanoic acid Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanylhexanoic acid CAS Name: 2-[(2-anilino-2-oxoethyl)thio]hexanoic acid IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanylhexanoic acid Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]hexanoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SCC(=O)NC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)O)SCC(=O)NC1=CC=CC=C1

InChI

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