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

Systemtic Name: methyl 4-[[5-(4-bromanyl-3-methoxy-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(4-bromo-3-methoxy-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-(4-bromo-3-methoxy-2-thiophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-bromo-3-methoxythiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-(4-bromo-3-methoxy-2-thienyl)-2-keto-1,3,4-oxadiazol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C17H15BrN2O6S MolecularWeight: 455.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CN2C(=O)OC(=N2)C3=C(C(=CS3)Br)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CN2C(=O)OC(=N2)C3=C(C(=CS3)Br)OC

InChI

InChI=1S/C17H15BrN2O6S/c1-23-12-6-9(16(21)25-3)4-5-10(12)7-20-17(22)26-15(19-20)14-13(24-2)11(18)8-27-14/h4-6,8H,7H2,1-3H3