2-(2-dimethylaminoethylsulfanylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(2-dimethylaminoethylsulfanylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(2-dimethylaminoethylsulfanyl)propanoic acid CAS Name: 2-[(2-dimethylaminoethylthio)methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(2-dimethylaminoethylsulfanyl)propanoic acid Traditional Name: 2-benzyl-3-(2-dimethylaminoethylthio)propionic acid Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CN(C)CCSCC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H21NO2S/c1-15(2)8-9-18-11-13(14(16)17)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,16,17)