[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(S2)C(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(S2)C(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c21-7-4-8-22-18(24)14-27-20(25)17-13-16(15-5-2-1-3-6-15)19(28-17)23-9-11-26-12-10-23/h1-3,5-6,13H,4,8-12,14H2,(H,22,24)