2-[2-oxidanylidene-2-[(4-propylphenyl)amino]ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(4-propylphenyl)amino]ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-2-(4-propylanilino)ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-(4-propylanilino)ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-(4-propylanilino)ethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-(4-propylanilino)ethyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)O

InChI

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