cyanomethyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: cyanomethyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid cyanomethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC#N)NC(=O)CC2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC#N)NC(=O)CC2=CC=CS2)OC

InChI

InChI=1S/C17H16N2O5S/c1-22-14-9-12(17(21)24-6-5-18)13(10-15(14)23-2)19-16(20)8-11-4-3-7-25-11/h3-4,7,9-10H,6,8H2,1-2H3,(H,19,20)