S-(2-diethylaminoethyl) 2-(3-methylphenyl)-2-oxidanyl-2-phenyl-ethanethioate hydrochloride

Systemtic Name: S-(2-diethylaminoethyl) 2-(3-methylphenyl)-2-oxidanyl-2-phenyl-ethanethioate hydrochloride Openeye Name: S-(2-diethylaminoethyl) 2-hydroxy-2-(m-tolyl)-2-phenyl-ethanethioate hydrochloride CAS Name: 2-hydroxy-2-(3-methylphenyl)-2-phenylethanethioic acid S-(2-diethylaminoethyl) ester hydrochloride IUPAC Name: S-(2-diethylaminoethyl) 2-hydroxy-2-(3-methylphenyl)-2-phenylethanethioate hydrochloride Traditional Name: 2-hydroxy-2-(m-tolyl)-2-phenyl-ethanethioic acid S-(2-diethylaminoethyl) ester hydrochloride Formula: C21H28ClNO2S MolecularWeight: 393.97052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2S.ClH/c1-4-22(5-2)14-15-25-20(23)21(24,18-11-7-6-8-12-18)19-13-9-10-17(3)16-19;/h6-13,16,24H,4-5,14-15H2,1-3H3;1H