tert-butyl 4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-fluorobenzothiophene-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-fluorobenzothiophene-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C18H21FN2O3S/c1-18(2,3)24-17(23)21-9-7-20(8-10-21)16(22)15-11-12-13(19)5-4-6-14(12)25-15/h4-6,11H,7-10H2,1-3H3