(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O3S2/c24-18(11-6-12-27-20-21-15-9-4-5-10-16(15)28-20)25-13-17-22-23-19(26-17)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2