(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H15BrN2O5S MolecularWeight: 439.2804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NO2)C3=CC=CS3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NO2)C3=CC=CS3)OC

InChI

InChI=1S/C17H15BrN2O5S/c1-3-23-15-11(18)7-10(8-12(15)22-2)17(21)24-9-14-19-16(20-25-14)13-5-4-6-26-13/h4-8H,3,9H2,1-2H3