3-[2-carboxyethylsulfanyl-(4-dimethylaminophenyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-(4-dimethylaminophenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-(4-dimethylaminophenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-(4-dimethylaminophenyl)methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-(4-dimethylaminophenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-(4-dimethylaminophenyl)methyl]thio]propionic acid Formula: C15H21NO4S2 MolecularWeight: 343.46154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S2/c1-16(2)12-5-3-11(4-6-12)15(21-9-7-13(17)18)22-10-8-14(19)20/h3-6,15H,7-10H2,1-2H3,(H,17,18)(H,19,20)