S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate

Systemtic Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate Openeye Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylethanethioic acid S-[(1-methyl-3-pyrrolidinyl)methyl] ester IUPAC Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-hydroxy-2-phenylethanethioate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioic acid S-[(1-methylpyrrolidin-3-yl)methyl] ester Formula: C20H29NO2S MolecularWeight: 347.51476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)CSC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

CN1CCC(C1)CSC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H29NO2S/c1-21-13-12-16(14-21)15-24-19(22)20(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,16,18,23H,3,6-7,10-15H2,1H3