S-(1-ethylpyrrolidin-3-yl) 2-oxidanyl-2,2-diphenyl-ethanethioate hydrochloride

Systemtic Name: S-(1-ethylpyrrolidin-3-yl) 2-oxidanyl-2,2-diphenyl-ethanethioate hydrochloride Openeye Name: S-(1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-ethanethioate hydrochloride CAS Name: 2-hydroxy-2,2-diphenylethanethioic acid S-(1-ethyl-3-pyrrolidinyl) ester hydrochloride IUPAC Name: S-(1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylethanethioate hydrochloride Traditional Name: 2-hydroxy-2,2-diphenyl-ethanethioic acid S-(1-ethylpyrrolidin-3-yl) ester hydrochloride Formula: C20H24ClNO2S MolecularWeight: 377.92806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C1)SC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCN1CCC(C1)SC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C20H23NO2S.ClH/c1-2-21-14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18,23H,2,13-15H2,1H3;1H