methyl 2-acetamido-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoate

Systemtic Name: methyl 2-acetamido-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoate Openeye Name: methyl 2-acetamido-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoate CAS Name: 2-acetamido-3-[[[2-[anilino(oxo)methyl]phenyl]seleno]thio]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylbutanoate Traditional Name: 2-acetamido-3-methyl-3-[[[2-(phenylcarbamoyl)phenyl]seleno]thio]butyric acid methyl ester Formula: C21H24N2O4SSe MolecularWeight: 479.45126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4SSe/c1-14(24)22-18(20(26)27-4)21(2,3)28-29-17-13-9-8-12-16(17)19(25)23-15-10-6-5-7-11-15/h5-13,18H,1-4H3,(H,22,24)(H,23,25)