[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-4,5-dimethyl-3-thiophenecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC(=O)NCCC#N)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC(=O)NCCC#N)C

InChI

InChI=1S/C18H21N3O3S/c1-11-6-7-12(2)21(11)17-16(13(3)14(4)25-17)18(23)24-10-15(22)20-9-5-8-19/h6-7H,5,9-10H2,1-4H3,(H,20,22)