ethyl (E)-4-[4-bis(azanyl)phosphoryloxybutylsulfanyl]-2-cyano-but-2-enoate

Systemtic Name: ethyl (E)-4-[4-bis(azanyl)phosphoryloxybutylsulfanyl]-2-cyano-but-2-enoate Openeye Name: ethyl (E)-2-cyano-4-(4-diaminophosphoryloxybutylsulfanyl)but-2-enoate CAS Name: (E)-2-cyano-4-(4-diaminophosphoryloxybutylthio)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-4-(4-diaminophosphoryloxybutylsulfanyl)but-2-enoate Traditional Name: (E)-2-cyano-4-(4-diaminophosphoryloxybutylthio)but-2-enoic acid ethyl ester Formula: C11H20N3O4PS MolecularWeight: 321.332961

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCSCCCCOP(=O)(N)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/CSCCCCOP(=O)(N)N)/C#N

InChI

InChI=1S/C11H20N3O4PS/c1-2-17-11(15)10(9-12)5-8-20-7-4-3-6-18-19(13,14)16/h5H,2-4,6-8H2,1H3,(H4,13,14,16)/b10-5+