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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=C(C=NC=C2)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=C(C=NC=C2)N

InChI

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