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

Systemtic Name: (3-cyanophenyl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: (3-cyanophenyl)methyl 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid (3-cyanobenzyl) ester Formula: C23H20N2O5S MolecularWeight: 436.4803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)NC(=O)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)NC(=O)CC3=CC=CS3)OC

InChI

InChI=1S/C23H20N2O5S/c1-28-20-11-18(23(27)30-14-16-6-3-5-15(9-16)13-24)19(12-21(20)29-2)25-22(26)10-17-7-4-8-31-17/h3-9,11-12H,10,14H2,1-2H3,(H,25,26)