[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C28H31ClN2O5S MolecularWeight: 543.07414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C6=CC=CS6)OC

InChI

InChI=1S/C28H31ClN2O5S/c1-34-22-6-5-19(9-23(22)35-2)21-10-20(24-4-3-7-37-24)30-31(21)25(32)15-36-26(33)27-11-17-8-18(12-27)14-28(29,13-17)16-27/h3-7,9,17-18,21H,8,10-16H2,1-2H3