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

Systemtic Name: tert-butyl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]acetic acid tert-butyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(CCCCC2)C=C1C#N

InChI

InChI=1S/C17H22N2O2S/c1-17(2,3)21-15(20)11-22-16-13(10-18)9-12-7-5-4-6-8-14(12)19-16/h9H,4-8,11H2,1-3H3