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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-methyl-2-(3-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3-thiophenyl)-5-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(3-thienyl)thiazole-5-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S2/c1-9-12(22-13(17-9)10-3-6-21-8-10)14(19)20-7-11(18)16-5-2-4-15/h3,6,8H,2,5,7H2,1H3,(H,16,18)