[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3S/c17-14-8-7-13(23-14)16(21)22-11-15(20)19(10-4-9-18)12-5-2-1-3-6-12/h1-3,5-8H,4,10-11H2