methyl 2-[5-[(2E)-2-cyano-2-piperidin-2-ylidene-ethanoyl]pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[5-[(2E)-2-cyano-2-piperidin-2-ylidene-ethanoyl]pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[5-[(2E)-2-cyano-2-(2-piperidylidene)acetyl]-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-[(2E)-2-cyano-1-oxo-2-(2-piperidinylidene)ethyl]-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(2E)-2-cyano-2-piperidin-2-ylideneacetyl]pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[5-[(2E)-2-cyano-2-(2-piperidylidene)acetyl]-2-pyridyl]thio]acetic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C=C1)C(=O)C(=C2CCCCN2)C#N

Isomeric SMILES

COC(=O)CSC1=NC=C(C=C1)C(=O)/C(=C/2\CCCCN2)/C#N

InChI

InChI=1S/C16H17N3O3S/c1-22-15(20)10-23-14-6-5-11(9-19-14)16(21)12(8-17)13-4-2-3-7-18-13/h5-6,9,18H,2-4,7,10H2,1H3/b13-12+