3-[4-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)phenyl]propanoate

Systemtic Name: 3-[4-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)phenyl]propanoate Openeye Name: 3-[4-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)phenyl]propanoate IUPAC Name: 3-[4-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)phenyl]propionate Formula: C11H9N3O4S2-2 MolecularWeight: 311.33686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)[O-])S(=O)(=O)[N-]C2=NN=CS2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)[O-])S(=O)(=O)[N-]C2=NN=CS2

InChI

InChI=1S/C11H11N3O4S2/c15-10(16)6-3-8-1-4-9(5-2-8)20(17,18)14-11-13-12-7-19-11/h1-2,4-5,7H,3,6H2,(H2,13,14,15,16)/p-2