methyl 2-chloranyl-8-methyl-3-phenylsulfanyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl 2-chloranyl-8-methyl-3-phenylsulfanyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl 2-chloro-8-methyl-3-phenylsulfanyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: 2-chloro-8-methyl-3-(phenylthio)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl 2-chloro-8-methyl-3-phenylsulfanyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: 2-chloro-8-methyl-3-(phenylthio)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(=C(C2Cl)SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C2CCC1C(=C(C2Cl)SC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C16H18ClNO2S/c1-18-11-8-9-12(18)14(17)15(13(11)16(19)20-2)21-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3