tert-butyl (1R,2R,3R,4S)-2-[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]oxy-3-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylate

Systemtic Name: tert-butyl (1R,2R,3R,4S)-2-[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]oxy-3-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylate Openeye Name: tert-butyl (1R,2R,3R,4S)-2-[(1S)-2-methoxy-1-methyl-2-oxo-ethoxy]-3-(p-tolylsulfonyl)-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylate CAS Name: (1R,2R,3R,4S)-2-[(2S)-1-methoxy-1-oxopropan-2-yl]oxy-3-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2R,3R,4S)-2-[(2S)-1-methoxy-1-oxopropan-2-yl]oxy-3-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylate Traditional Name: (1R,2R,3R,4S)-2-[(1S)-2-keto-2-methoxy-1-methyl-ethoxy]-3-tosyl-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylic acid tert-butyl ester Formula: C22H29NO7S MolecularWeight: 451.53316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C3C=CC(C2OC(C)C(=O)OC)N3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2O[C@@H](C)C(=O)OC)N3C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO7S/c1-13-7-9-15(10-8-13)31(26,27)19-17-12-11-16(18(19)29-14(2)20(24)28-6)23(17)21(25)30-22(3,4)5/h7-12,14,16-19H,1-6H3/t14-,16+,17-,18+,19+/m0/s1