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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-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-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)NC(=O)C2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)NC(=O)C2=CC=CS2)OC

InChI

InChI=1S/C22H22N4O6S/c1-30-17-12-15(16(13-18(17)31-2)25-21(28)19-6-3-11-33-19)22(29)32-14-20(27)26(9-4-7-23)10-5-8-24/h3,6,11-13H,4-5,9-10,14H2,1-2H3,(H,25,28)