3-[2-oxidanylidene-2-[(4-propylphenyl)amino]ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-[(4-propylphenyl)amino]ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-oxo-2-(4-propylanilino)ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-2-(4-propylanilino)ethyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-2-(4-propylanilino)ethyl]sulfanylpropanoic acid Traditional Name: 3-[[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)CSCCC(=O)O

Isomeric SMILES

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

InChI

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