tert-butyl (3S)-2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylate

Systemtic Name: tert-butyl (3S)-2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylate Openeye Name: tert-butyl (3S)-2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylate CAS Name: (3S)-2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylate Traditional Name: (3S)-2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C23H31NO5S2 MolecularWeight: 465.62594

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(O3)CCCC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(O3)CCCC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C23H31NO5S2/c1-22(2,3)29-21(25)20-23(4,5)30-13-12-24(20)31(26,27)15-10-11-17-16-8-6-7-9-18(16)28-19(17)14-15/h10-11,14,20H,6-9,12-13H2,1-5H3/t20-/m0/s1