[(1S)-2-oxidanylidenecyclohexyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC3CCCCC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)O[C@H]3CCCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C19H18N2O3S/c1-12-14-11-17(19(23)24-16-10-6-5-9-15(16)22)25-18(14)21(20-12)13-7-3-2-4-8-13/h2-4,7-8,11,16H,5-6,9-10H2,1H3/t16-/m0/s1