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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(2-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 1-(2-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H15ClN4O3S MolecularWeight: 414.8654

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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=C3Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H15ClN4O3S/c1-10(22)13(8-21)16(25)9-27-19(26)17-7-12-11(2)23-24(18(12)28-17)15-6-4-3-5-14(15)20/h3-7,13,22H,9H2,1-2H3/t13-/m0/s1