ethyl (3S)-5-(diethylamino)-3-(1,3-dithiolan-2-ylmethyl)-5-oxidanylidene-pentanoate

Systemtic Name: ethyl (3S)-5-(diethylamino)-3-(1,3-dithiolan-2-ylmethyl)-5-oxidanylidene-pentanoate Openeye Name: ethyl (3S)-5-(diethylamino)-3-(1,3-dithiolan-2-ylmethyl)-5-oxo-pentanoate CAS Name: (3S)-5-(diethylamino)-3-(1,3-dithiolan-2-ylmethyl)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl (3S)-5-(diethylamino)-3-(1,3-dithiolan-2-ylmethyl)-5-oxopentanoate Traditional Name: (3S)-5-(diethylamino)-3-(1,3-dithiolan-2-ylmethyl)-5-keto-valeric acid ethyl ester Formula: C15H27NO3S2 MolecularWeight: 333.50978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC(CC1SCCS1)CC(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)C[C@H](CC1SCCS1)CC(=O)OCC

InChI

InChI=1S/C15H27NO3S2/c1-4-16(5-2)13(17)9-12(10-14(18)19-6-3)11-15-20-7-8-21-15/h12,15H,4-11H2,1-3H3/t12-/m0/s1