methyl (E)-2-[(Z)-1-azanylprop-1-enyl]-3-(4-fluoranyl-2-oxidanyl-phenyl)-5-oxidanylidene-4-phenoxysulfonyl-pent-2-enoate

Systemtic Name: methyl (E)-2-[(Z)-1-azanylprop-1-enyl]-3-(4-fluoranyl-2-oxidanyl-phenyl)-5-oxidanylidene-4-phenoxysulfonyl-pent-2-enoate Openeye Name: methyl (E)-2-[(Z)-1-aminoprop-1-enyl]-3-(4-fluoro-2-hydroxy-phenyl)-5-oxo-4-phenoxysulfonyl-pent-2-enoate CAS Name: (E)-2-[(Z)-1-aminoprop-1-enyl]-3-(4-fluoro-2-hydroxyphenyl)-5-oxo-4-phenoxysulfonyl-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-[(Z)-1-aminoprop-1-enyl]-3-(4-fluoro-2-hydroxyphenyl)-5-oxo-4-phenoxysulfonylpent-2-enoate Traditional Name: (E)-2-[(Z)-1-aminoprop-1-enyl]-3-(4-fluoro-2-hydroxy-phenyl)-5-keto-4-phenoxysulfonyl-pent-2-enoic acid methyl ester Formula: C21H20FNO7S MolecularWeight: 449.449403

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(=C(C1=C(C=C(C=C1)F)O)C(C=O)S(=O)(=O)OC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

C/C=C(/C(=C(/C1=C(C=C(C=C1)F)O)\C(C=O)S(=O)(=O)OC2=CC=CC=C2)/C(=O)OC)\N

InChI

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