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2-[(4-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)sulfanyl]ethanoate

2-[(4-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)sulfanyl]ethanoate

Systemtic Name:2-[(4-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)sulfanyl]ethanoate
Openeye Name:2-[(4-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)sulfanyl]acetate
CAS Name:2-[(4-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)thio]acetate
IUPAC Name:2-[(4-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)sulfanyl]acetate
Traditional Name:2-[(4-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)thio]acetate
Formula: C13H13N2O2S-
MolecularWeight: 261.31952
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CN=C(C(=C2CC1)C#N)SCC(=O)[O-]


Isomeric SMILES

C1CCC2=CN=C(C(=C2CC1)C#N)SCC(=O)[O-]


InChI

InChI=1S/C13H14N2O2S/c14-6-11-10-5-3-1-2-4-9(10)7-15-13(11)18-8-12(16)17/h7H,1-5,8H2,(H,16,17)/p-1


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