2-azanyl-2-deuterio-3-[(3,4-dimethylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-2-deuterio-3-[(3,4-dimethylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-2-deuterio-3-[(3,4-dimethylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-2-deuterio-3-[(3,4-dimethylphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-2-deuterio-3-[(3,4-dimethylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-2-deuterio-3-[(3,4-dimethylbenzyl)thio]propionic acid Formula: C12H17NO2S MolecularWeight: 240.340042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSCC(C(=O)O)N)C

Isomeric SMILES

[2H]C(CSCC1=CC(=C(C=C1)C)C)(C(=O)O)N

InChI

InChI=1S/C12H17NO2S/c1-8-3-4-10(5-9(8)2)6-16-7-11(13)12(14)15/h3-5,11H,6-7,13H2,1-2H3,(H,14,15)/i11D