2-[4-[(Z)-2-cyano-3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid
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![2-[4-[(Z)-2-cyano-3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/80680259984143c4a793c857468f76b4.png "2-[4-[(Z)-2-cyano-3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid")
2-[4-[(Z)-2-cyano-3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid
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CAS No:
745808-43-9
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Formula:
C23H22N2O6S
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Chemical Name:
2-[4-[(Z)-2-cyano-3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid
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Synonyms:
745808-43-9;2-[4-[(Z)-2-Cyano-3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid
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CAS No:
2-[4-[(Z)-2-cyano-3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid Basic Attributes
454.5 g/mol
454.11985760 g/mol
Computed Properties
Molecular Weight:454.5
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:454.11985760
Monoisotopic Mass:454.11985760
Topological Polar Surface Area:154
Heavy Atom Count:32
Complexity:783
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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