methyl (2E)-3-azanylidene-2-(7-fluoranyl-3-phenoxysulfonyl-chromen-4-ylidene)pentanoate

Systemtic Name: methyl (2E)-3-azanylidene-2-(7-fluoranyl-3-phenoxysulfonyl-chromen-4-ylidene)pentanoate Openeye Name: methyl (2E)-2-(7-fluoro-3-phenoxysulfonyl-chromen-4-ylidene)-3-imino-pentanoate CAS Name: (2E)-2-(7-fluoro-3-phenoxysulfonyl-1-benzopyran-4-ylidene)-3-iminopentanoic acid methyl ester IUPAC Name: methyl (2E)-2-(7-fluoro-3-phenoxysulfonylchromen-4-ylidene)-3-iminopentanoate Traditional Name: (2E)-2-(7-fluoro-3-phenoxysulfonyl-chromen-4-ylidene)-3-imino-valeric acid methyl ester Formula: C21H18FNO6S MolecularWeight: 431.434123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=N)C(=C1C2=C(C=C(C=C2)F)OC=C1S(=O)(=O)OC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(=N)/C(=C\1/C2=C(C=C(C=C2)F)OC=C1S(=O)(=O)OC3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C21H18FNO6S/c1-3-16(23)20(21(24)27-2)19-15-10-9-13(22)11-17(15)28-12-18(19)30(25,26)29-14-7-5-4-6-8-14/h4-12,23H,3H2,1-2H3/b20-19+,23-16?