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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H15FN4O3S MolecularWeight: 398.410803

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C19H15FN4O3S/c1-10(22)15(8-21)16(25)9-27-19(26)17-7-14-11(2)23-24(18(14)28-17)13-5-3-12(20)4-6-13/h3-7,15,22H,9H2,1-2H3/t15-/m1/s1