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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CC1C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H19N3O4S/c21-9-4-10-22-16(24)11-27-20(26)17-15(13-5-2-1-3-6-13)12-28-19(17)23-18(25)14-7-8-14/h1-3,5-6,12,14H,4,7-8,10-11H2,(H,22,24)(H,23,25)