methyl (E)-3-azanyl-2-[(E)-3-(4-fluoranyl-2-oxidanyl-phenyl)-3-oxidanylidene-2-phenoxysulfonyl-prop-1-enyl]pent-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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