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

Systemtic Name: tert-butyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(4-carbomethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-20(2,3)27-19(25)23-11-9-14(10-12-23)17-22-21-16(28-17)13-5-7-15(8-6-13)18(24)26-4/h5-8,14H,9-12H2,1-4H3