[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-3-thiophenecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CS2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CS2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19N3O3S/c1-15-8-9-16(2)24(15)20-18(10-13-28-20)21(26)27-14-19(25)23(12-11-22)17-6-4-3-5-7-17/h3-10,13H,12,14H2,1-2H3