5-oxidanylidene-5-[[2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]amino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[[2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]amino]pentanoic acid Openeye Name: 5-oxo-5-[2-[[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]anilino]pentanoic acid CAS Name: 5-oxo-5-[2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylthio]anilino]pentanoic acid IUPAC Name: 5-oxo-5-[2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]anilino]pentanoic acid Traditional Name: 5-keto-5-[2-[[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methylthio]anilino]valeric acid Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCC(=O)O)SCC2=NOC(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCC(=O)O)SCC2=NOC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H17N3O4S2/c22-16(8-3-9-17(23)24)19-12-5-1-2-6-13(12)27-11-15-20-18(25-21-15)14-7-4-10-26-14/h1-2,4-7,10H,3,8-9,11H2,(H,19,22)(H,23,24)