propyl 2-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-sulfanyl-ethanoate

Systemtic Name: propyl 2-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-sulfanyl-ethanoate Openeye Name: propyl 2-[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]-2-sulfanyl-acetate CAS Name: 2-mercapto-2-[5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl]acetic acid propyl ester IUPAC Name: propyl 2-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-sulfanylacetate Traditional Name: 2-mercapto-2-[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]acetic acid propyl ester Formula: C11H11N3O5S2 MolecularWeight: 329.35214

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-])S

Isomeric SMILES

CCCOC(=O)C(C1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-])S

InChI

InChI=1S/C11H11N3O5S2/c1-2-5-18-11(15)8(20)10-13-12-9(21-10)6-3-4-7(19-6)14(16)17/h3-4,8,20H,2,5H2,1H3