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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=N)C(C(=O)OC)C1(C2=C(C=C(C=C2)F)OC=C1S(=O)(=O)OC3=CC=CC=C3)O

Isomeric SMILES

CCC(=N)C(C(=O)OC)C1(C2=C(C=C(C=C2)F)OC=C1S(=O)(=O)OC3=CC=CC=C3)O

InChI

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