2-[5-[(2E)-2-cyano-2-piperidin-2-ylidene-ethanoyl]pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-[(2E)-2-cyano-2-piperidin-2-ylidene-ethanoyl]pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[5-[(2E)-2-cyano-2-(2-piperidylidene)acetyl]-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2E)-2-cyano-1-oxo-2-(2-piperidinylidene)ethyl]-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[5-[(2E)-2-cyano-2-piperidin-2-ylideneacetyl]pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-[(2E)-2-cyano-2-(2-piperidylidene)acetyl]-2-pyridyl]thio]acetic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=C(C#N)C(=O)C2=CN=C(C=C2)SCC(=O)O)C1

Isomeric SMILES

C1CCN/C(=C(\C#N)/C(=O)C2=CN=C(C=C2)SCC(=O)O)/C1

InChI

InChI=1S/C15H15N3O3S/c16-7-11(12-3-1-2-6-17-12)15(21)10-4-5-13(18-8-10)22-9-14(19)20/h4-5,8,17H,1-3,6,9H2,(H,19,20)/b12-11+