tert-butyl 4-[5-(3-methyl-4-nitro-phenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(3-methyl-4-nitro-phenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(3-methyl-4-nitro-phenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(3-methyl-4-nitro-phenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(S2)C3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(S2)C3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-12-11-14(5-6-15(12)23(25)26)17-21-20-16(28-17)13-7-9-22(10-8-13)18(24)27-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3