tert-butyl (3S)-3-[[3-azanyl-5-(3-fluorophenyl)thiophen-2-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[3-azanyl-5-(3-fluorophenyl)thiophen-2-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[[3-amino-5-(3-fluorophenyl)thiophene-2-carbonyl]amino]piperidine-1-carboxylate CAS Name: (3S)-3-[[[3-amino-5-(3-fluorophenyl)-2-thiophenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[3-amino-5-(3-fluorophenyl)thiophene-2-carbonyl]amino]piperidine-1-carboxylate Traditional Name: (3S)-3-[[3-amino-5-(3-fluorophenyl)thiophene-2-carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)N

InChI

InChI=1S/C21H26FN3O3S/c1-21(2,3)28-20(27)25-9-5-8-15(12-25)24-19(26)18-16(23)11-17(29-18)13-6-4-7-14(22)10-13/h4,6-7,10-11,15H,5,8-9,12,23H2,1-3H3,(H,24,26)/t15-/m0/s1