methyl 1-[2-(3-azanylpyridin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3-azanylpyridin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(3-amino-2-pyridyl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-amino-2-pyridinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-aminopyridin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-amino-2-pyridyl)thio]acetyl]isonipecotic acid methyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=C(C=CC=N2)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=C(C=CC=N2)N

InChI

InChI=1S/C14H19N3O3S/c1-20-14(19)10-4-7-17(8-5-10)12(18)9-21-13-11(15)3-2-6-16-13/h2-3,6,10H,4-5,7-9,15H2,1H3