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

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(S2)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(S2)Cl)C

InChI

InChI=1S/C18H17ClN2O3S/c1-12-8-13(2)10-14(9-12)21(7-3-6-20)17(22)11-24-18(23)15-4-5-16(19)25-15/h4-5,8-10H,3,7,11H2,1-2H3