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ethyl (E)-4-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]but-2-enoate

ethyl (E)-4-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]but-2-enoate structure

CAS No:
324579-88-6
Formula:
C16H18N2O3S2
Chemical Name:
ethyl (E)-4-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]but-2-enoate
Synonyms:
324579-88-6;(E)-ethyl 4-((4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)but-2-enoate;ethyl (2E)-4-(4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-yl thio))but-2-enoate;SCHEMBL12280663;ZINC5093140;SBB083899;STL079776;AKOS002160784;ethyl (E)-4-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]but-2-enoate;BIM-0035353.P001;ST50031955;AB00667822-01;SR-01000443414;SR-01000443414-1;F0439-0022;ethyl (2E)-4-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]but-2-enoate

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ethyl (E)-4-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]but-2-enoate Basic Attributes

Molecular Weight：

350.5 g/mol

Exact Mass：

350.07588479 g/mol

Characteristics

PSA：

121 Å²

Computed Properties

Molecular Weight:350.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:350.07588479
Monoisotopic Mass:350.07588479
Topological Polar Surface Area:121
Heavy Atom Count:23
Complexity:535
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl (E)-4-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]but-2-enoate

Basic Attributes
Characteristics
Computed Properties
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