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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C25H23N3O6S MolecularWeight: 493.53162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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