(4-cyanophenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (4-cyanophenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (4-cyanophenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid (4-cyanobenzyl) ester Formula: C22H18N2O5S MolecularWeight: 422.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)NC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)NC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H18N2O5S/c1-27-18-10-16(22(26)29-13-15-7-5-14(12-23)6-8-15)17(11-19(18)28-2)24-21(25)20-4-3-9-30-20/h3-11H,13H2,1-2H3,(H,24,25)