2-(dimethylamino)-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-(dimethylamino)-3-phenylsulfanyl-propanoic acid Openeye Name: 2-(dimethylamino)-3-phenylsulfanyl-propanoic acid CAS Name: 2-(dimethylamino)-3-(phenylthio)propanoic acid IUPAC Name: 2-(dimethylamino)-3-phenylsulfanylpropanoic acid Traditional Name: 2-(dimethylamino)-3-(phenylthio)propionic acid Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO2S/c1-12(2)10(11(13)14)8-15-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)