methyl 2-acetamido-4-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoate

Systemtic Name: methyl 2-acetamido-4-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoate Openeye Name: methyl 2-acetamido-4-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoate CAS Name: 2-acetamido-4-[[[2-[anilino(oxo)methyl]phenyl]seleno]thio]butanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-[2-(phenylcarbamoyl)phenyl]selanylsulfanylbutanoate Traditional Name: 2-acetamido-4-[[[2-(phenylcarbamoyl)phenyl]seleno]thio]butyric acid methyl ester Formula: C20H22N2O4SSe MolecularWeight: 465.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCS[Se]C1=CC=CC=C1C(=O)NC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCS[Se]C1=CC=CC=C1C(=O)NC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4SSe/c1-14(23)21-17(20(25)26-2)12-13-27-28-18-11-7-6-10-16(18)19(24)22-15-8-4-3-5-9-15/h3-11,17H,12-13H2,1-2H3,(H,21,23)(H,22,24)