[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OCC(=O)NCCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(S1)C(=O)OCC(=O)NCCC#N)C2=CC=CC=C2

InChI

InChI=1S/C16H15N3O3S/c1-11-19-14(12-6-3-2-4-7-12)15(23-11)16(21)22-10-13(20)18-9-5-8-17/h2-4,6-7H,5,9-10H2,1H3,(H,18,20)