[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-phenyl-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-phenyl-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-phenyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-phenyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-phenyl-2-(2-thenoylamino)thiophene-3-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H19N3O4S2/c1-25(11-6-10-23)18(26)13-29-22(28)19-16(15-7-3-2-4-8-15)14-31-21(19)24-20(27)17-9-5-12-30-17/h2-5,7-9,12,14H,6,11,13H2,1H3,(H,24,27)