methyl (5S)-5,6,6-trimethyl-2-pyridin-2-ylsulfanyl-heptanoate

Systemtic Name: methyl (5S)-5,6,6-trimethyl-2-pyridin-2-ylsulfanyl-heptanoate Openeye Name: methyl (5S)-5,6,6-trimethyl-2-(2-pyridylsulfanyl)heptanoate CAS Name: (5S)-5,6,6-trimethyl-2-(2-pyridinylthio)heptanoic acid methyl ester IUPAC Name: methyl (5S)-5,6,6-trimethyl-2-pyridin-2-ylsulfanylheptanoate Traditional Name: (5S)-5,6,6-trimethyl-2-(2-pyridylthio)enanthic acid methyl ester Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(=O)OC)SC1=CC=CC=N1)C(C)(C)C

Isomeric SMILES

C[C@@H](CCC(C(=O)OC)SC1=CC=CC=N1)C(C)(C)C

InChI

InChI=1S/C16H25NO2S/c1-12(16(2,3)4)9-10-13(15(18)19-5)20-14-8-6-7-11-17-14/h6-8,11-13H,9-10H2,1-5H3/t12-,13?/m0/s1