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Home > Encyclopedia > ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 

structure
  • CAS No:

    300813-37-0

  • Formula:

    C21H19ClN2O3S

  • Chemical Name:

    ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Synonyms:

    ZINC1453369;STK952423;AKOS001040426;ST50077906;300813-37-0;ethyl 2-[(2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoylamino]-4,5,6,7-tetrahydrob enzo[b]thiophene-3-carboxylate;ethyl 2-{[(2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

414.9 g/mol

414.0804913 g/mol

Characteristics

107 Ų

Computed Properties

Molecular Weight:414.9
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:414.0804913
Monoisotopic Mass:414.0804913
Topological Polar Surface Area:107
Heavy Atom Count:28
Complexity:674
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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