4-[[5-(3-bromophenyl)-2-oxidanylidene-1,3,4-thiadiazol-3-yl]methylamino]butanoic acid

Systemtic Name: 4-[[5-(3-bromophenyl)-2-oxidanylidene-1,3,4-thiadiazol-3-yl]methylamino]butanoic acid Openeye Name: 4-[[5-(3-bromophenyl)-2-oxo-1,3,4-thiadiazol-3-yl]methylamino]butanoic acid CAS Name: 4-[[5-(3-bromophenyl)-2-oxo-1,3,4-thiadiazol-3-yl]methylamino]butanoic acid IUPAC Name: 4-[[5-(3-bromophenyl)-2-oxo-1,3,4-thiadiazol-3-yl]methylamino]butanoic acid Traditional Name: 4-[[5-(3-bromophenyl)-2-keto-1,3,4-thiadiazol-3-yl]methylamino]butyric acid Formula: C13H14BrN3O3S MolecularWeight: 372.23756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN(C(=O)S2)CNCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN(C(=O)S2)CNCCCC(=O)O

InChI

InChI=1S/C13H14BrN3O3S/c14-10-4-1-3-9(7-10)12-16-17(13(20)21-12)8-15-6-2-5-11(18)19/h1,3-4,7,15H,2,5-6,8H2,(H,18,19)