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Benzenepropanoic acid, .beta.-[[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino]-4-(cyclopentyloxy)-
SpectraBase Compound ID FjWvLjcKfH2
InChI InChI=1S/C23H22ClNO4S/c24-21-17-7-3-4-8-19(17)30-22(21)23(28)25-18(13-20(26)27)14-9-11-16(12-10-14)29-15-5-1-2-6-15/h3-4,7-12,15,18H,1-2,5-6,13H2,(H,25,28)(H,26,27)
InChIKey FFZREBQTNYRWNS-UHFFFAOYSA-N
Mol Weight 443.95 g/mol
Molecular Formula C23H22ClNO4S
Exact Mass 443.095807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvceuLtp9Hd
Name Benzenepropanoic acid, .beta.-[[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino]-4-(cyclopentyloxy)-
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Formula C23H22ClNO4S
InChI InChI=1S/C23H22ClNO4S/c24-21-17-7-3-4-8-19(17)30-22(21)23(28)25-18(13-20(26)27)14-9-11-16(12-10-14)29-15-5-1-2-6-15/h3-4,7-12,15,18H,1-2,5-6,13H2,(H,25,28)(H,26,27)
InChIKey FFZREBQTNYRWNS-UHFFFAOYSA-N
Molecular Weight 443.945 g/mol
SMILES OC(CC(c1ccc(cc1)OC1CCCC1)NC(=O)c1c(c2ccccc2s1)Cl)=O
SPLASH splash10-01oy-8910000000-10714b872858b72e7003
Source of Spectrum IY-1-4673-1
Synonyms 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-cyclopentyloxyphenyl)propanoic acid 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-cyclopentyloxyphenyl)propanoic acid 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-[4-(cyclopentoxy)phenyl]propanoic acid 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-cyclopentyloxyphenyl)propanoic acid
Wiley ID 1654714