methyl 1-[2-(1H-perimidin-2-ylsulfanyl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1H-perimidin-2-ylsulfanyl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1H-perimidin-2-ylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(1H-perimidin-2-ylthio)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1H-perimidin-2-ylsulfanyl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1H-perimidin-2-ylthio)acetyl]isonipecotic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C20H21N3O3S/c1-26-19(25)14-8-10-23(11-9-14)17(24)12-27-20-21-15-6-2-4-13-5-3-7-16(22-20)18(13)15/h2-7,14H,8-12H2,1H3,(H,21,22)