[(1S)-2-oxidanylidenecyclohexyl] 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 3-methyl-1-(p-tolylmethyl)thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-[(4-methylphenyl)methyl]-5-thieno[2,3-c]pyrazolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-methyl-1-[(4-methylphenyl)methyl]thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-(4-methylbenzyl)thieno[2,3-c]pyrazole-5-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)OC4CCCCC4=O)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(S3)C(=O)O[C@H]4CCCCC4=O)C(=N2)C

InChI

InChI=1S/C21H22N2O3S/c1-13-7-9-15(10-8-13)12-23-20-16(14(2)22-23)11-19(27-20)21(25)26-18-6-4-3-5-17(18)24/h7-11,18H,3-6,12H2,1-2H3/t18-/m0/s1