tert-butyl 4-(5-chloranyl-1-benzothiophen-3-yl)-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-chloranyl-1-benzothiophen-3-yl)-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-chlorobenzothiophen-3-yl)-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-(5-chloro-1-benzothiophen-3-yl)-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-chloro-1-benzothiophen-3-yl)-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-(5-chlorobenzothiophen-3-yl)-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C18H22ClNO3S MolecularWeight: 367.89018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CSC3=C2C=C(C=C3)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CSC3=C2C=C(C=C3)Cl)O

InChI

InChI=1S/C18H22ClNO3S/c1-17(2,3)23-16(21)20-8-6-18(22,7-9-20)14-11-24-15-5-4-12(19)10-13(14)15/h4-5,10-11,22H,6-9H2,1-3H3