[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC#N)NC(=O)C1=CC=CS1

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NCCC#N)NC(=O)C1=CC=CS1

InChI

InChI=1S/C15H19N3O4S/c1-10(2)13(18-14(20)11-5-3-8-23-11)15(21)22-9-12(19)17-7-4-6-16/h3,5,8,10,13H,4,7,9H2,1-2H3,(H,17,19)(H,18,20)/t13-/m1/s1