ethyl 1-[3-nitro-6-[4-(1,2,3-thiadiazol-5-yl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-nitro-6-[4-(1,2,3-thiadiazol-5-yl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-nitro-6-[4-(thiadiazol-5-yl)phenoxy]-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-nitro-6-[4-(5-thiadiazolyl)phenoxy]-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-nitro-6-[4-(thiadiazol-5-yl)phenoxy]pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-nitro-6-[4-(thiadiazol-5-yl)phenoxy]-2-pyridyl]isonipecotic acid ethyl ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)C4=CN=NS4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)C4=CN=NS4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-2-30-21(27)15-9-11-25(12-10-15)20-17(26(28)29)7-8-19(23-20)31-16-5-3-14(4-6-16)18-13-22-24-32-18/h3-8,13,15H,2,9-12H2,1H3