2-acetamido-3-[(4-chlorophenyl)carbamoylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[(4-chlorophenyl)carbamoylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[(4-chlorophenyl)carbamoylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[[(4-chloroanilino)-oxomethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[(4-chlorophenyl)carbamoylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[(4-chlorophenyl)carbamoylthio]propionic acid Formula: C12H13ClN2O4S MolecularWeight: 316.76062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)NC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(=O)NC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C12H13ClN2O4S/c1-7(16)14-10(11(17)18)6-20-12(19)15-9-4-2-8(13)3-5-9/h2-5,10H,6H2,1H3,(H,14,16)(H,15,19)(H,17,18)