[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C(C#N)C(=N)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O3S/c1-11(21)15(9-20)16(24)10-26-19(25)17-8-14-12(2)22-23(18(14)27-17)13-6-4-3-5-7-13/h3-8,15,21H,10H2,1-2H3/t15-/m0/s1