S-(2-pyrrolidin-1-ylethyl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride

Systemtic Name: S-(2-pyrrolidin-1-ylethyl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride Openeye Name: S-(2-pyrrolidin-1-ylethyl) 2-cyclopentyl-2-hydroxy-2-phenyl-ethanethioate hydrochloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylethanethioic acid S-[2-(1-pyrrolidinyl)ethyl] ester hydrochloride IUPAC Name: S-(2-pyrrolidin-1-ylethyl) 2-cyclopentyl-2-hydroxy-2-phenylethanethioate hydrochloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-ethanethioic acid S-(2-pyrrolidinoethyl) ester hydrochloride Formula: C19H28ClNO2S MolecularWeight: 369.94912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)SCCN3CCCC3)O.Cl

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)SCCN3CCCC3)O.Cl

InChI

InChI=1S/C19H27NO2S.ClH/c21-18(23-15-14-20-12-6-7-13-20)19(22,17-10-4-5-11-17)16-8-2-1-3-9-16;/h1-3,8-9,17,22H,4-7,10-15H2;1H