[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(4-ethylphenyl)thiazole-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-ethylphenyl)thiazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H17N3O3S/c1-2-12-4-6-13(7-5-12)16-20-14(11-24-16)17(22)23-10-15(21)19-9-3-8-18/h4-7,11H,2-3,9-10H2,1H3,(H,19,21)