(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC(=NO3)C4=CSC=C4)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC(=NO3)C4=CSC=C4)Cl

InChI

InChI=1S/C18H15ClN2O5S/c19-14-5-12-7-23-10-25-17(12)13(6-14)8-24-16(22)2-1-15-20-18(21-26-15)11-3-4-27-9-11/h3-6,9H,1-2,7-8,10H2