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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-methyl-5-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-11-15(17(22)24-10-14(21)19-9-3-8-18)25-16(20-11)12-4-6-13(23-2)7-5-12/h4-7H,3,9-10H2,1-2H3,(H,19,21)