methyl 2-acetamido-3-[2-[(4-fluorophenyl)carbamoyl]-6-methoxy-phenyl]selanylsulfanyl-propanoate

Systemtic Name: methyl 2-acetamido-3-[2-[(4-fluorophenyl)carbamoyl]-6-methoxy-phenyl]selanylsulfanyl-propanoate Openeye Name: methyl 2-acetamido-3-[2-[(4-fluorophenyl)carbamoyl]-6-methoxy-phenyl]selanylsulfanyl-propanoate CAS Name: 2-acetamido-3-[[[2-[(4-fluoroanilino)-oxomethyl]-6-methoxyphenyl]seleno]thio]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[2-[(4-fluorophenyl)carbamoyl]-6-methoxyphenyl]selanylsulfanylpropanoate Traditional Name: 2-acetamido-3-[[[2-[(4-fluorophenyl)carbamoyl]-6-methoxy-phenyl]seleno]thio]propionic acid methyl ester Formula: C20H21FN2O5SSe MolecularWeight: 499.414543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS[Se]C1=C(C=CC=C1OC)C(=O)NC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC(=O)NC(CS[Se]C1=C(C=CC=C1OC)C(=O)NC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C20H21FN2O5SSe/c1-12(24)22-16(20(26)28-3)11-29-30-18-15(5-4-6-17(18)27-2)19(25)23-14-9-7-13(21)8-10-14/h4-10,16H,11H2,1-3H3,(H,22,24)(H,23,25)