[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c1-14-8-6-7-11-18(14)23-20(26)13-28-22(27)19-12-17-15(2)24-25(21(17)29-19)16-9-4-3-5-10-16/h3-5,9-10,12,14,18H,6-8,11,13H2,1-2H3,(H,23,26)