S-(2-diethylaminoethyl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride

Systemtic Name: S-(2-diethylaminoethyl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride Openeye Name: S-(2-diethylaminoethyl) 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioate hydrochloride CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylethanethioic acid S-(2-diethylaminoethyl) ester hydrochloride IUPAC Name: S-(2-diethylaminoethyl) 2-cyclohexyl-2-hydroxy-2-phenylethanethioate hydrochloride Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioic acid S-(2-diethylaminoethyl) ester hydrochloride Formula: C20H32ClNO2S MolecularWeight: 385.99158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl

Isomeric SMILES

CCN(CC)CCSC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C20H31NO2S.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3;1H