(2S)-2-[(2-chloranylpyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(2-chloranylpyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-chloropyridine-3-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-chloropyridine-3-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloronicotinoyl)amino]-4-(methylthio)butyrate Formula: C11H12ClN2O3S- MolecularWeight: 287.74258

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(N=CC=C1)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=C(N=CC=C1)Cl

InChI

InChI=1S/C11H13ClN2O3S/c1-18-6-4-8(11(16)17)14-10(15)7-3-2-5-13-9(7)12/h2-3,5,8H,4,6H2,1H3,(H,14,15)(H,16,17)/p-1/t8-/m0/s1