4-[(4-methylsulfanylphenyl)methylamino]butanoic acid

Systemtic Name: 4-[(4-methylsulfanylphenyl)methylamino]butanoic acid Openeye Name: 4-[(4-methylsulfanylphenyl)methylamino]butanoic acid CAS Name: 4-[[4-(methylthio)phenyl]methylamino]butanoic acid IUPAC Name: 4-[(4-methylsulfanylphenyl)methylamino]butanoic acid Traditional Name: 4-[[4-(methylthio)benzyl]amino]butyric acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNCCCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CNCCCC(=O)O

InChI

InChI=1S/C12H17NO2S/c1-16-11-6-4-10(5-7-11)9-13-8-2-3-12(14)15/h4-7,13H,2-3,8-9H2,1H3,(H,14,15)