tert-butyl 4-[3-(1-hydroxyethyl)-1-benzothiophen-2-yl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(1-hydroxyethyl)-1-benzothiophen-2-yl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-hydroxy-4-[3-(1-hydroxyethyl)benzothiophen-2-yl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[3-(1-hydroxyethyl)-1-benzothiophen-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-4-[3-(1-hydroxyethyl)-1-benzothiophen-2-yl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[3-(1-hydroxyethyl)benzothiophen-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(SC2=CC=CC=C21)C3(CCN(CC3)C(=O)OC(C)(C)C)O)O

Isomeric SMILES

CC(C1=C(SC2=CC=CC=C21)C3(CCN(CC3)C(=O)OC(C)(C)C)O)O

InChI

InChI=1S/C20H27NO4S/c1-13(22)16-14-7-5-6-8-15(14)26-17(16)20(24)9-11-21(12-10-20)18(23)25-19(2,3)4/h5-8,13,22,24H,9-12H2,1-4H3