[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H14N2O3S/c17-8-4-9-18-14(19)11-21-16(20)15-13(7-10-22-15)12-5-2-1-3-6-12/h1-3,5-7,10H,4,9,11H2,(H,18,19)