2-[3-(3,4-dimethylphenyl)sulfanylpropanoyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoyl-methyl-amino]acetic acid CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoyl-methylamino]acetic acid Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoyl-methyl-amino]acetic acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N(C)CC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N(C)CC(=O)O)C

InChI

InChI=1S/C14H19NO3S/c1-10-4-5-12(8-11(10)2)19-7-6-13(16)15(3)9-14(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)