[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H31N3O3S MolecularWeight: 429.57554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)CC(C)C

InChI

InChI=1S/C23H31N3O3S/c1-13(2)11-26-21-18(14(3)25-26)7-19(30-21)22(28)29-12-20(27)24-23-8-15-4-16(9-23)6-17(5-15)10-23/h7,13,15-17H,4-6,8-12H2,1-3H3,(H,24,27)