[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 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 [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O6S/c1-32-21-14-19(20(15-22(21)33-2)27-23(29)13-18-9-6-12-35-18)25(31)34-16-24(30)28(11-10-26)17-7-4-3-5-8-17/h3-9,12,14-15H,11,13,16H2,1-2H3,(H,27,29)