ethyl (E)-3-azanyl-2-[(Z)-2-[[(E)-3-azanyl-1-ethoxy-4,4,4-tris(fluoranyl)-1-oxidanylidene-but-2-en-2-yl]disulfanyl]-1,2-dicyano-ethenyl]sulfanyl-4,4,4-tris(fluoranyl)but-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-[(Z)-2-[[(E)-3-azanyl-1-ethoxy-4,4,4-tris(fluoranyl)-1-oxidanylidene-but-2-en-2-yl]disulfanyl]-1,2-dicyano-ethenyl]sulfanyl-4,4,4-tris(fluoranyl)but-2-enoate Openeye Name: ethyl (E)-3-amino-2-[(Z)-2-[[(E)-2-amino-1-ethoxycarbonyl-3,3,3-trifluoro-prop-1-enyl]disulfanyl]-1,2-dicyano-vinyl]sulfanyl-4,4,4-trifluoro-but-2-enoate CAS Name: (E)-3-amino-2-[[(Z)-2-[[(E)-3-amino-1-ethoxy-4,4,4-trifluoro-1-oxobut-2-en-2-yl]disulfanyl]-1,2-dicyanoethenyl]thio]-4,4,4-trifluoro-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-[(Z)-2-[[(E)-3-amino-1-ethoxy-4,4,4-trifluoro-1-oxobut-2-en-2-yl]disulfanyl]-1,2-dicyanoethenyl]sulfanyl-4,4,4-trifluorobut-2-enoate Traditional Name: (E)-3-amino-2-[[(Z)-2-[[(E)-2-amino-1-carbethoxy-3,3,3-trifluoro-prop-1-enyl]disulfanyl]-1,2-dicyano-vinyl]thio]-4,4,4-trifluoro-but-2-enoic acid ethyl ester Formula: C16H14F6N4O4S3 MolecularWeight: 536.492179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C(F)(F)F)N)SC(=C(C#N)SSC(=C(C(F)(F)F)N)C(=O)OCC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/C(F)(F)F)\N)/S/C(=C(/C#N)\SS/C(=C(\C(F)(F)F)/N)/C(=O)OCC)/C#N

InChI

InChI=1S/C16H14F6N4O4S3/c1-3-29-13(27)9(11(25)15(17,18)19)31-7(5-23)8(6-24)32-33-10(14(28)30-4-2)12(26)16(20,21)22/h3-4,25-26H2,1-2H3/b8-7-,11-9+,12-10+