2-acetamido-3-[2-(4-chloranylphenoxy)-2-methyl-propanethioyl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[2-(4-chloranylphenoxy)-2-methyl-propanethioyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[2-(4-chlorophenoxy)-2-methyl-propanethioyl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[2-(4-chlorophenoxy)-2-methyl-1-sulfanylidenepropyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[2-(4-chlorophenoxy)-2-methylpropanethioyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[2-(4-chlorophenoxy)-2-methyl-propanethioyl]thio]propionic acid Formula: C15H18ClNO4S2 MolecularWeight: 375.89072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=S)C(C)(C)OC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(=S)C(C)(C)OC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C15H18ClNO4S2/c1-9(18)17-12(13(19)20)8-23-14(22)15(2,3)21-11-6-4-10(16)5-7-11/h4-7,12H,8H2,1-3H3,(H,17,18)(H,19,20)