ethyl 1-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-[[(4-fluoroanilino)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]isonipecotic acid ethyl ester Formula: C17H20FN5O3S MolecularWeight: 393.435803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN5O3S/c1-2-26-14(24)11-7-9-23(10-8-11)17-22-21-16(27-17)20-15(25)19-13-5-3-12(18)4-6-13/h3-6,11H,2,7-10H2,1H3,(H2,19,20,21,25)