butyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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butyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
497078-18-9
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Formula:
C22H24N2O4S
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Chemical Name:
butyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
497078-18-9;(E)-butyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;BUTYL 2-[(2E)-2-CYANO-3-(5-METHYLFURAN-2-YL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE;ZINC2311792;STK867483;AKOS002185739;butyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ST50079756;F1589-1185;butyl 2-[(2E)-2-cyano-3-(5-methyl(2-furyl))prop-2-enoylamino]-4,5,6,7-tetrahyd robenzo[b]thiophene-3-carboxylate;butyl 2-{[(2E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
butyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
412.5 g/mol
412.14567842 g/mol
Computed Properties
Molecular Weight:412.5
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:412.14567842
Monoisotopic Mass:412.14567842
Topological Polar Surface Area:121
Heavy Atom Count:29
Complexity:686
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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