2-azanyl-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4,5-dimethoxy-2-methylphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4,5-dimethoxy-2-methyl-benzyl)thio]propionic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(C(=O)O)N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(C(=O)O)N)OC)OC

InChI

InChI=1S/C13H19NO4S/c1-8-4-11(17-2)12(18-3)5-9(8)6-19-7-10(14)13(15)16/h4-5,10H,6-7,14H2,1-3H3,(H,15,16)