(4-propylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl) ethanoate

Systemtic Name: (4-propylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl) ethanoate Openeye Name: (4-propylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl) acetate CAS Name: acetic acid [4-(propylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] ester IUPAC Name: (4-propylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl) acetate Traditional Name: acetic acid [4-(propylthio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] ester Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2CCCCC(C2=NC=C1)OC(=O)C

Isomeric SMILES

CCCSC1=C2CCCCC(C2=NC=C1)OC(=O)C

InChI

InChI=1S/C15H21NO2S/c1-3-10-19-14-8-9-16-15-12(14)6-4-5-7-13(15)18-11(2)17/h8-9,13H,3-7,10H2,1-2H3