methyl 3-azanylidene-4-(7-fluoranyl-4-oxidanyl-3-phenoxysulfonyl-2H-chromen-2-yl)pentanoate

Systemtic Name: methyl 3-azanylidene-4-(7-fluoranyl-4-oxidanyl-3-phenoxysulfonyl-2H-chromen-2-yl)pentanoate Openeye Name: methyl 4-(7-fluoro-4-hydroxy-3-phenoxysulfonyl-2H-chromen-2-yl)-3-imino-pentanoate CAS Name: 4-(7-fluoro-4-hydroxy-3-phenoxysulfonyl-2H-1-benzopyran-2-yl)-3-iminopentanoic acid methyl ester IUPAC Name: methyl 4-(7-fluoro-4-hydroxy-3-phenoxysulfonyl-2H-chromen-2-yl)-3-iminopentanoate Traditional Name: 4-(7-fluoro-4-hydroxy-3-phenoxysulfonyl-2H-chromen-2-yl)-3-imino-valeric acid methyl ester Formula: C21H20FNO7S MolecularWeight: 449.449403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h3-10,12,20,23,25H,11H2,1-2H3