(2S,3R)-1-(2-methylpropyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: (2S,3R)-1-(2-methylpropyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (2S,3R)-1-isobutyl-6-oxo-2-(2-thienyl)piperidine-3-carboxylate CAS Name: (2S,3R)-1-(2-methylpropyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylate IUPAC Name: (2S,3R)-1-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: (2S,3R)-1-isobutyl-6-keto-2-(2-thienyl)nipecotate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(CCC1=O)C(=O)[O-])C2=CC=CS2

Isomeric SMILES

CC(C)CN1[C@@H]([C@@H](CCC1=O)C(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C14H19NO3S/c1-9(2)8-15-12(16)6-5-10(14(17)18)13(15)11-4-3-7-19-11/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H,17,18)/p-1/t10-,13+/m1/s1