(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)sulfanyl-3-methyl-butanoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)sulfanyl-3-methyl-butanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)sulfanyl-3-methyl-butanoate CAS Name: 2-[(4-chlorophenyl)thio]-3-methylbutanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)sulfanyl-3-methylbutanoate Traditional Name: 2-[(4-chlorophenyl)thio]-3-methyl-butyric acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C19H26ClNO2S MolecularWeight: 367.93324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1CC2CCC(C1)N2C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(C(=O)OC1CC2CCC(C1)N2C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H26ClNO2S/c1-12(2)18(24-17-8-4-13(20)5-9-17)19(22)23-16-10-14-6-7-15(11-16)21(14)3/h4-5,8-9,12,14-16,18H,6-7,10-11H2,1-3H3