[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 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 [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 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 [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C

InChI

InChI=1S/C19H21N3O3S/c1-10-6-7-11(2)22(10)18-17(12(3)14(5)26-18)19(24)25-9-16(23)15(8-20)13(4)21/h6-7,15,21H,9H2,1-5H3/t15-/m0/s1