4-[[2-(1,2,4-oxadiazol-3-ylmethylsulfanyl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(1,2,4-oxadiazol-3-ylmethylsulfanyl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(1,2,4-oxadiazol-3-ylmethylsulfanyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[2-(1,2,4-oxadiazol-3-ylmethylthio)anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-(1,2,4-oxadiazol-3-ylmethylsulfanyl)anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-(1,2,4-oxadiazol-3-ylmethylthio)anilino]butyric acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCC(=O)O)SCC2=NOC=N2

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCC(=O)O)SCC2=NOC=N2

InChI

InChI=1S/C13H13N3O4S/c17-12(5-6-13(18)19)15-9-3-1-2-4-10(9)21-7-11-14-8-20-16-11/h1-4,8H,5-7H2,(H,15,17)(H,18,19)