[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-2-thiophenecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)thiophene-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H15ClN2O3S/c22-16-8-6-15(7-9-16)18-10-11-19(28-18)21(26)27-14-20(25)24(13-12-23)17-4-2-1-3-5-17/h1-11H,13-14H2