4-oxidanylidene-4-[[4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[4-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)anilino]butanoic acid CAS Name: 4-oxo-4-[4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino]butanoic acid IUPAC Name: 4-oxo-4-[4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino]butanoic acid Traditional Name: 4-keto-4-[4-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)anilino]butyric acid Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)S2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H11N3O3S2/c16-9(5-6-10(17)18)13-8-3-1-7(2-4-8)11-14-15-12(19)20-11/h1-4H,5-6H2,(H,13,16)(H,15,19)(H,17,18)