S-ethyl 3-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]propanethioate

Systemtic Name: S-ethyl 3-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]propanethioate Openeye Name: S-ethyl 3-[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]propanethioate CAS Name: 3-[5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl]propanethioic acid S-ethyl ester IUPAC Name: S-ethyl 3-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]propanethioate Traditional Name: 3-[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]propanethioic acid S-ethyl ester Formula: C11H11N3O4S2 MolecularWeight: 313.35274

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CCC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCSC(=O)CCC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O4S2/c1-2-19-10(15)6-4-8-12-13-11(20-8)7-3-5-9(18-7)14(16)17/h3,5H,2,4,6H2,1H3