propan-2-yl 2-(cyanomethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate

Systemtic Name: propan-2-yl 2-(cyanomethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate Openeye Name: isopropyl 2-(cyanomethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate CAS Name: 2-(cyanomethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(cyanomethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate Traditional Name: 2-(cyanomethylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid isopropyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(CCCCC2)N=C1SCC#N

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(CCCCC2)N=C1SCC#N

InChI

InChI=1S/C16H20N2O2S/c1-11(2)20-16(19)13-10-12-6-4-3-5-7-14(12)18-15(13)21-9-8-17/h10-11H,3-7,9H2,1-2H3