butyl 3-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: butyl 3-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: butyl 3-[[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl]thio]propanoic acid butyl ester IUPAC Name: butyl 3-[[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]thio]propionic acid butyl ester Formula: C13H15N3O5S2 MolecularWeight: 357.4053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCSC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CCSC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S2/c1-2-3-7-20-11(17)6-8-22-13-15-14-12(23-13)9-4-5-10(21-9)16(18)19/h4-5H,2-3,6-8H2,1H3