4-oxidanylidene-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoate Openeye Name: 4-oxo-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoate CAS Name: 4-oxo-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoate IUPAC Name: 4-oxo-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoate Traditional Name: 4-keto-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butyrate Formula: C12H10N3O3S- MolecularWeight: 276.2911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c16-9(6-7-10(17)18)13-12-15-14-11(19-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,18)(H,13,15,16)/p-1