S-cyano 3-[(6-chloranylpyridin-3-yl)carbonylamino]-3-methyl-pentanethioate

Systemtic Name: S-cyano 3-[(6-chloranylpyridin-3-yl)carbonylamino]-3-methyl-pentanethioate Openeye Name: S-cyano 3-[(6-chloropyridine-3-carbonyl)amino]-3-methyl-pentanethioate CAS Name: 3-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-3-methylpentanethioic acid S-cyano ester IUPAC Name: S-cyano 3-[(6-chloropyridine-3-carbonyl)amino]-3-methylpentanethioate Traditional Name: 3-[(6-chloronicotinoyl)amino]-3-methyl-pentanethioic acid S-cyano ester Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)SC#N)NC(=O)C1=CN=C(C=C1)Cl

Isomeric SMILES

CCC(C)(CC(=O)SC#N)NC(=O)C1=CN=C(C=C1)Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-3-13(2,6-11(18)20-8-15)17-12(19)9-4-5-10(14)16-7-9/h4-5,7H,3,6H2,1-2H3,(H,17,19)