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

Systemtic Name: (2S,3R)-6-oxidanylidene-1-propyl-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (2S,3R)-6-oxo-1-propyl-2-(2-thienyl)piperidine-3-carboxylate CAS Name: (2S,3R)-6-oxo-1-propyl-2-thiophen-2-yl-3-piperidinecarboxylate IUPAC Name: (2S,3R)-6-oxo-1-propyl-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: (2S,3R)-6-keto-1-propyl-2-(2-thienyl)nipecotate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(CCC1=O)C(=O)[O-])C2=CC=CS2

Isomeric SMILES

CCCN1[C@@H]([C@@H](CCC1=O)C(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H17NO3S/c1-2-7-14-11(15)6-5-9(13(16)17)12(14)10-4-3-8-18-10/h3-4,8-9,12H,2,5-7H2,1H3,(H,16,17)/p-1/t9-,12+/m1/s1