Methyl 4-(4-chlorophenyl)-2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate

SpectraBase Compound ID	EmyGoq38PNo
InChI	InChI=1S/C31H25ClN2O4S/c1-18(2)38-22-14-10-20(11-15-22)27-16-24(23-6-4-5-7-26(23)33-27)29(35)34-30-28(31(36)37-3)25(17-39-30)19-8-12-21(32)13-9-19/h4-18H,1-3H3,(H,34,35)
InChIKey	SMAGWLNVWFOWSO-UHFFFAOYSA-N Google Search
Mol Weight	557.06 g/mol
Molecular Formula	C31H25ClN2O4S
Exact Mass	556.122356 g/mol

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SpectraBase Spectrum ID	1wNHXwWuSvX
Name	Methyl 4-(4-chlorophenyl)-2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	556.122356163 u
Formula	C31H25ClN2O4S
InChI	InChI=1S/C31H25ClN2O4S/c1-18(2)38-22-14-10-20(11-15-22)27-16-24(23-6-4-5-7-26(23)33-27)29(35)34-30-28(31(36)37-3)25(17-39-30)19-8-12-21(32)13-9-19/h4-18H,1-3H3,(H,34,35)
InChIKey	SMAGWLNVWFOWSO-UHFFFAOYSA-N
Molecular Weight	557.064 g/mol
SMILES	N(C1=C(C(=CS1)C=1C=CC(=CC1)Cl)C(=O)OC)C(C1=CC(C2=CC=C(OC(C)C)C=C2)=NC=2C1=CC=CC2)=O