[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=C(SC(=C2)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=C(SC(=C2)C)C)C

InChI

InChI=1S/C20H22N2O3S/c1-13-8-14(2)10-17(9-13)22(7-5-6-21)19(23)12-25-20(24)18-11-15(3)26-16(18)4/h8-11H,5,7,12H2,1-4H3