3-[4-[2-chloroethyl(ethyl)amino]phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[4-[2-chloroethyl(ethyl)amino]phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-[2-chloroethyl(ethyl)amino]phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-[2-chloroethyl(ethyl)amino]phenyl]thio]propanoic acid IUPAC Name: 3-[4-[2-chloroethyl(ethyl)amino]phenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-[2-chloroethyl(ethyl)amino]phenyl]thio]propionic acid Formula: C13H18ClNO2S MolecularWeight: 287.80552

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCl)C1=CC=C(C=C1)SCCC(=O)O

Isomeric SMILES

CCN(CCCl)C1=CC=C(C=C1)SCCC(=O)O

InChI

InChI=1S/C13H18ClNO2S/c1-2-15(9-8-14)11-3-5-12(6-4-11)18-10-7-13(16)17/h3-6H,2,7-10H2,1H3,(H,16,17)