2-[2-[5-chloranyl-2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoylamino]ethanoic acid

Systemtic Name: 2-[2-[5-chloranyl-2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoylamino]ethanoic acid Openeye Name: 2-[2-[5-chloro-2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoylamino]acetic acid CAS Name: 2-[[2-[[[2-[anilino(oxo)methyl]-5-chlorophenyl]seleno]thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[2-[5-chloro-2-(phenylcarbamoyl)phenyl]selanylsulfanylpropanoylamino]acetic acid Traditional Name: 2-[2-[[[5-chloro-2-(phenylcarbamoyl)phenyl]seleno]thio]propanoylamino]acetic acid Formula: C18H17ClN2O4SSe MolecularWeight: 471.81658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)O)S[Se]C1=C(C=CC(=C1)Cl)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCC(=O)O)S[Se]C1=C(C=CC(=C1)Cl)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H17ClN2O4SSe/c1-11(17(24)20-10-16(22)23)26-27-15-9-12(19)7-8-14(15)18(25)21-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,24)(H,21,25)(H,22,23)