[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-phenyl-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-phenyl-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-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-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-phenyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-phenyl-2-(2-thenoylamino)thiophene-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC(=O)NCCC#N)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC(=O)NCCC#N)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H17N3O4S2/c22-9-5-10-23-17(25)12-28-21(27)18-15(14-6-2-1-3-7-14)13-30-20(18)24-19(26)16-8-4-11-29-16/h1-4,6-8,11,13H,5,10,12H2,(H,23,25)(H,24,26)