3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethoxyphenyl)propanoic acid

SpectraBase Compound ID	JmXvkp1KqBQ
InChI	InChI=1S/C20H18ClNO4S/c1-2-26-13-9-7-12(8-10-13)15(11-17(23)24)22-20(25)19-18(21)14-5-3-4-6-16(14)27-19/h3-10,15H,2,11H2,1H3,(H,22,25)(H,23,24)
InChIKey	CBZANZBYNIJPQW-UHFFFAOYSA-N Google Search
Mol Weight	403.88 g/mol
Molecular Formula	C20H18ClNO4S
Exact Mass	403.064507 g/mol

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SpectraBase Spectrum ID	1IWG6vqD6U2
Name	3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethoxyphenyl)propanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H18ClNO4S
InChI	InChI=1S/C20H18ClNO4S/c1-2-26-13-9-7-12(8-10-13)15(11-17(23)24)22-20(25)19-18(21)14-5-3-4-6-16(14)27-19/h3-10,15H,2,11H2,1H3,(H,22,25)(H,23,24)
InChIKey	CBZANZBYNIJPQW-UHFFFAOYSA-N
Molecular Weight	403.880 g/mol
SMILES	N(C(c1sc2ccccc2c1Cl)=O)C(CC(=O)O)c1ccc(cc1)OCC
SPLASH	splash10-052e-3910000000-4690ceee381a84ec6b1f
Synonyms	3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-p-phenetyl-propionic acid 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-ethoxyphenyl)propanoic acid
Wiley ID	1443156