2-[[4-(ethylsulfanylmethyl)phenyl]-methyl-amino]propanoic acid

Systemtic Name: 2-[[4-(ethylsulfanylmethyl)phenyl]-methyl-amino]propanoic acid Openeye Name: 2-[4-(ethylsulfanylmethyl)-N-methyl-anilino]propanoic acid CAS Name: 2-[4-[(ethylthio)methyl]-N-methylanilino]propanoic acid IUPAC Name: 2-[4-(ethylsulfanylmethyl)-N-methylanilino]propanoic acid Traditional Name: 2-[4-[(ethylthio)methyl]-N-methyl-anilino]propionic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC=C(C=C1)N(C)C(C)C(=O)O

Isomeric SMILES

CCSCC1=CC=C(C=C1)N(C)C(C)C(=O)O

InChI

InChI=1S/C13H19NO2S/c1-4-17-9-11-5-7-12(8-6-11)14(3)10(2)13(15)16/h5-8,10H,4,9H2,1-3H3,(H,15,16)