tert-butyl 9-(4-chlorophenyl)carbonyloxy-3-thia-7-azabicyclo[3.3.1]nonane-7-carboxylate

Systemtic Name: tert-butyl 9-(4-chlorophenyl)carbonyloxy-3-thia-7-azabicyclo[3.3.1]nonane-7-carboxylate Openeye Name: tert-butyl 9-(4-chlorobenzoyl)oxy-3-thia-7-azabicyclo[3.3.1]nonane-7-carboxylate CAS Name: 9-[(4-chlorophenyl)-oxomethoxy]-3-thia-7-azabicyclo[3.3.1]nonane-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-(4-chlorobenzoyl)oxy-3-thia-7-azabicyclo[3.3.1]nonane-7-carboxylate Traditional Name: 9-(4-chlorobenzoyl)oxy-3-thia-7-azabicyclo[3.3.1]nonane-7-carboxylic acid tert-butyl ester Formula: C19H24ClNO4S MolecularWeight: 397.91616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CSCC(C1)C2OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CSCC(C1)C2OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H24ClNO4S/c1-19(2,3)25-18(23)21-8-13-10-26-11-14(9-21)16(13)24-17(22)12-4-6-15(20)7-5-12/h4-7,13-14,16H,8-11H2,1-3H3