methyl (E)-3-azanyl-4-(7-fluoranyl-4-oxidanyl-3-phenoxysulfonyl-2H-chromen-2-yl)pent-3-enoate

Systemtic Name: methyl (E)-3-azanyl-4-(7-fluoranyl-4-oxidanyl-3-phenoxysulfonyl-2H-chromen-2-yl)pent-3-enoate Openeye Name: methyl (E)-3-amino-4-(7-fluoro-4-hydroxy-3-phenoxysulfonyl-2H-chromen-2-yl)pent-3-enoate CAS Name: (E)-3-amino-4-(7-fluoro-4-hydroxy-3-phenoxysulfonyl-2H-1-benzopyran-2-yl)-3-pentenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-4-(7-fluoro-4-hydroxy-3-phenoxysulfonyl-2H-chromen-2-yl)pent-3-enoate Traditional Name: (E)-3-amino-4-(7-fluoro-4-hydroxy-3-phenoxysulfonyl-2H-chromen-2-yl)pent-3-enoic acid methyl ester Formula: C21H20FNO7S MolecularWeight: 449.449403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CC(=O)OC)N)C1C(=C(C2=C(O1)C=C(C=C2)F)O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C/C(=C(/CC(=O)OC)\N)/C1C(=C(C2=C(O1)C=C(C=C2)F)O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H20FNO7S/c1-12(16(23)11-18(24)28-2)20-21(31(26,27)30-14-6-4-3-5-7-14)19(25)15-9-8-13(22)10-17(15)29-20/h3-10,20,25H,11,23H2,1-2H3/b16-12+