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

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C16H12Cl2N2O3S MolecularWeight: 383.24908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N2O3S/c17-11-3-1-4-12(9-11)20(8-2-7-19)15(21)10-23-16(22)13-5-6-14(18)24-13/h1,3-6,9H,2,8,10H2