ethyl (3R,4S)-5-cyano-2-methylidene-4-pyridin-3-yl-6-sulfanylidene-piperidine-3-carboxylate

Systemtic Name: ethyl (3R,4S)-5-cyano-2-methylidene-4-pyridin-3-yl-6-sulfanylidene-piperidine-3-carboxylate Openeye Name: ethyl (3R,4S)-5-cyano-2-methylene-4-(3-pyridyl)-6-thioxo-piperidine-3-carboxylate CAS Name: (3R,4S)-5-cyano-2-methylene-4-(3-pyridinyl)-6-sulfanylidene-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-5-cyano-2-methylidene-4-pyridin-3-yl-6-sulfanylidenepiperidine-3-carboxylate Traditional Name: (3R,4S)-5-cyano-2-methylene-4-(3-pyridyl)-6-thioxo-nipecotic acid ethyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(=S)NC1=C)C#N)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](C(C(=S)NC1=C)C#N)C2=CN=CC=C2

InChI

InChI=1S/C15H15N3O2S/c1-3-20-15(19)12-9(2)18-14(21)11(7-16)13(12)10-5-4-6-17-8-10/h4-6,8,11-13H,2-3H2,1H3,(H,18,21)/t11?,12-,13+/m0/s1