(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylate CAS Name: (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: (2R)-5-chlorocoumaran-2-carboxylic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)[C@H]3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClNO6/c1-11(24)23-15-3-4-16-13(8-20(25)29-18(16)9-15)10-27-21(26)19-7-12-6-14(22)2-5-17(12)28-19/h2,5-6,8,18-19,25H,3-4,7,9-10H2,1H3/t18?,19-/m1/s1