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

Systemtic Name: (6-chloranylpyridin-3-yl)methyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-3-pyridyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C18H18Cl2N2O3S MolecularWeight: 413.31812

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CN=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CN=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18Cl2N2O3S/c1-26-9-8-15(22-17(23)13-3-5-14(19)6-4-13)18(24)25-11-12-2-7-16(20)21-10-12/h2-7,10,15H,8-9,11H2,1H3,(H,22,23)/t15-/m0/s1