methyl 8-methyl-3-phenylsulfanyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl 8-methyl-3-phenylsulfanyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl 8-methyl-3-phenylsulfanyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: 8-methyl-3-(phenylthio)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl 8-methyl-3-phenylsulfanyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: 8-methyl-3-(phenylthio)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(=C(C2)SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C2CCC1C(=C(C2)SC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C16H19NO2S/c1-17-11-8-9-13(17)15(16(18)19-2)14(10-11)20-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3