methyl 4-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(2R)-5-(4-mesylphenyl)coumaran-2-yl]methylamino]butyric acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NCC1CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCC(=O)NC[C@H]1CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23NO6S/c1-27-21(24)10-9-20(23)22-13-17-12-16-11-15(5-8-19(16)28-17)14-3-6-18(7-4-14)29(2,25)26/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,22,23)/t17-/m1/s1