[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid [2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-11-16-7-17(28-19(16)24(3)23-11)20(26)27-12(2)18(25)22-21-8-13-4-14(9-21)6-15(5-13)10-21/h7,12-15H,4-6,8-10H2,1-3H3,(H,22,25)