methyl 5-nitro-2-[3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidin-1-yl]benzoate

Systemtic Name: methyl 5-nitro-2-[3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[3-(1,3,4-thiadiazol-2-ylcarbamoyl)-1-piperidyl]benzoate CAS Name: 5-nitro-2-[3-[oxo-(1,3,4-thiadiazol-2-ylamino)methyl]-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidin-1-yl]benzoate Traditional Name: 5-nitro-2-[3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidino]benzoic acid methyl ester Formula: C16H17N5O5S MolecularWeight: 391.40168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)C(=O)NC3=NN=CS3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)C(=O)NC3=NN=CS3

InChI

InChI=1S/C16H17N5O5S/c1-26-15(23)12-7-11(21(24)25)4-5-13(12)20-6-2-3-10(8-20)14(22)18-16-19-17-9-27-16/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,18,19,22)