[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(3-thienyl)thiazole-4-carboxylate CAS Name: 2-(3-thiophenyl)-4-thiazolecarboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-thienyl)thiazole-4-carboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CSC(=N2)C3=CSC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CSC(=N2)C3=CSC=C3)C

InChI

InChI=1S/C21H19N3O3S2/c1-14-8-15(2)10-17(9-14)24(6-3-5-22)19(25)11-27-21(26)18-13-29-20(23-18)16-4-7-28-12-16/h4,7-10,12-13H,3,6,11H2,1-2H3