methyl (2S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(5-bromopyridine-3-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-bromopyridine-3-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(5-bromonicotinoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C12H15BrN2O3S MolecularWeight: 347.2281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CN=C1)Br

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C12H15BrN2O3S/c1-18-12(17)10(3-4-19-2)15-11(16)8-5-9(13)7-14-6-8/h5-7,10H,3-4H2,1-2H3,(H,15,16)/t10-/m0/s1