2-acetamido-3-[3-[(4-fluorophenyl)carbamoyl]phenyl]selanylsulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[3-[(4-fluorophenyl)carbamoyl]phenyl]selanylsulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[3-[(4-fluorophenyl)carbamoyl]phenyl]selanylsulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[[3-[(4-fluoroanilino)-oxomethyl]phenyl]seleno]thio]propanoic acid IUPAC Name: 2-acetamido-3-[3-[(4-fluorophenyl)carbamoyl]phenyl]selanylsulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[[3-[(4-fluorophenyl)carbamoyl]phenyl]seleno]thio]propionic acid Formula: C18H17FN2O4SSe MolecularWeight: 455.361983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS[Se]C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(=O)NC(CS[Se]C1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C18H17FN2O4SSe/c1-11(22)20-16(18(24)25)10-26-27-15-4-2-3-12(9-15)17(23)21-14-7-5-13(19)6-8-14/h2-9,16H,10H2,1H3,(H,20,22)(H,21,23)(H,24,25)