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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-chloranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-5-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-thiazole-5-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H16ClN3O4S/c1-11-16(17(23)25-9-14(22)20-8-2-7-19)26-15(21-11)10-24-13-5-3-12(18)4-6-13/h3-6H,2,8-10H2,1H3,(H,20,22)