methyl (2S)-4-(2-methylsulfanylethanoyl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(2-methylsulfanylethanoyl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-4-(2-methylsulfanylacetyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-4-[2-(methylthio)-1-oxoethyl]-1-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(2-methylsulfanylacetyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-4-[2-(methylthio)acetyl]-1-nicotinoyl-piperazine-2-carboxylic acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)CSC

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)CSC

InChI

InChI=1S/C15H19N3O4S/c1-22-15(21)12-9-17(13(19)10-23-2)6-7-18(12)14(20)11-4-3-5-16-8-11/h3-5,8,12H,6-7,9-10H2,1-2H3/t12-/m0/s1