methyl 2-[[(2S)-2-[(4-bromophenyl)methylsulfanyl]propanoyl]amino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[(2S)-2-[(4-bromophenyl)methylsulfanyl]propanoyl]amino]-2-methyl-propanoate Openeye Name: methyl 2-[[(2S)-2-[(4-bromophenyl)methylsulfanyl]propanoyl]amino]-2-methyl-propanoate CAS Name: 2-[[(2S)-2-[(4-bromophenyl)methylthio]-1-oxopropyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-[(4-bromophenyl)methylsulfanyl]propanoyl]amino]-2-methylpropanoate Traditional Name: 2-[[(2S)-2-[(4-bromobenzyl)thio]propanoyl]amino]-2-methyl-propionic acid methyl ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C(=O)OC)SCC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C(=O)OC)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C15H20BrNO3S/c1-10(13(18)17-15(2,3)14(19)20-4)21-9-11-5-7-12(16)8-6-11/h5-8,10H,9H2,1-4H3,(H,17,18)/t10-/m0/s1