tert-butyl (4S)-3-[(Z)-4-methylsulfonyloxybut-2-enyl]-4-(2-phenylmethoxyethyl)-3,4-dihydropyrazole-2-carboxylate

Systemtic Name: tert-butyl (4S)-3-[(Z)-4-methylsulfonyloxybut-2-enyl]-4-(2-phenylmethoxyethyl)-3,4-dihydropyrazole-2-carboxylate Openeye Name: tert-butyl (4S)-4-(2-benzyloxyethyl)-3-[(Z)-4-methylsulfonyloxybut-2-enyl]-3,4-dihydropyrazole-2-carboxylate CAS Name: (4S)-3-[(Z)-4-methylsulfonyloxybut-2-enyl]-4-(2-phenylmethoxyethyl)-3,4-dihydropyrazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-3-[(Z)-4-methylsulfonyloxybut-2-enyl]-4-(2-phenylmethoxyethyl)-3,4-dihydropyrazole-2-carboxylate Traditional Name: (4S)-4-(2-benzoxyethyl)-5-[(Z)-4-methylsulfonyloxybut-2-enyl]-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(C=N1)CCOCC2=CC=CC=C2)CC=CCOS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C([C@@H](C=N1)CCOCC2=CC=CC=C2)C/C=C\COS(=O)(=O)C

InChI

InChI=1S/C22H32N2O6S/c1-22(2,3)30-21(25)24-20(12-8-9-14-29-31(4,26)27)19(16-23-24)13-15-28-17-18-10-6-5-7-11-18/h5-11,16,19-20H,12-15,17H2,1-4H3/b9-8-/t19-,20?/m1/s1