S-(2-diethylaminoethyl) 2,2-bis(4-methylphenyl)-2-oxidanyl-ethanethioate hydrochloride

Systemtic Name: S-(2-diethylaminoethyl) 2,2-bis(4-methylphenyl)-2-oxidanyl-ethanethioate hydrochloride Openeye Name: S-(2-diethylaminoethyl) 2-hydroxy-2,2-bis(p-tolyl)ethanethioate hydrochloride CAS Name: 2-hydroxy-2,2-bis(4-methylphenyl)ethanethioic acid S-(2-diethylaminoethyl) ester hydrochloride IUPAC Name: S-(2-diethylaminoethyl) 2-hydroxy-2,2-bis(4-methylphenyl)ethanethioate hydrochloride Traditional Name: 2-hydroxy-2,2-bis(p-tolyl)ethanethioic acid S-(2-diethylaminoethyl) ester hydrochloride Formula: C22H30ClNO2S MolecularWeight: 407.9971

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(=O)C(C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)O.Cl

Isomeric SMILES

CCN(CC)CCSC(=O)C(C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)O.Cl

InChI

InChI=1S/C22H29NO2S.ClH/c1-5-23(6-2)15-16-26-21(24)22(25,19-11-7-17(3)8-12-19)20-13-9-18(4)10-14-20;/h7-14,25H,5-6,15-16H2,1-4H3;1H