2,2-dimethylthiane; methyl 3-piperidin-1-ylpropanoate

Systemtic Name: 2,2-dimethylthiane; methyl 3-piperidin-1-ylpropanoate Openeye Name: 2,2-dimethyltetrahydrothiopyran; methyl 3-(1-piperidyl)propanoate CAS Name: 2,2-dimethylthiane; 3-(1-piperidinyl)propanoic acid methyl ester IUPAC Name: 2,2-dimethylthiane; methyl 3-piperidin-1-ylpropanoate Traditional Name: 2,2-dimethyltetrahydrothiopyran; 3-piperidinopropionic acid methyl ester Formula: C16H31NO2S MolecularWeight: 301.48784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCS1)C.COC(=O)CCN1CCCCC1

Isomeric SMILES

CC1(CCCCS1)C.COC(=O)CCN1CCCCC1

InChI

InChI=1S/C9H17NO2.C7H14S/c1-12-9(11)5-8-10-6-3-2-4-7-10;1-7(2)5-3-4-6-8-7/h2-8H2,1H3;3-6H2,1-2H3