2-acetamido-3-(4-methylsulfanylphenyl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(4-methylsulfanylphenyl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(4-methylsulfanylphenyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[4-(methylthio)phenyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[4-(methylthio)phenyl]thio]propionic acid Formula: C12H15NO3S2 MolecularWeight: 285.3824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)SC)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1=CC=C(C=C1)SC)C(=O)O

InChI

InChI=1S/C12H15NO3S2/c1-8(14)13-11(12(15)16)7-18-10-5-3-9(17-2)4-6-10/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)