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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO7S/c1-3-15(23)17(21(25)28-2)19-20(31(26,27)30-13-7-5-4-6-8-13)18(24)14-10-9-12(22)11-16(14)29-19/h4-11,19,24H,3,23H2,1-2H3/b17-15-