3-[N-Phthaloyl-4-aminobenzoyl]-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene

SpectraBase Compound ID	3OwpCXEZU0I
InChI	InChI=1S/C31H21NO5S/c1-36-21-13-9-19(10-14-21)29-27(25-16-15-22(37-2)17-26(25)38-29)28(33)18-7-11-20(12-8-18)32-30(34)23-5-3-4-6-24(23)31(32)35/h3-17H,1-2H3
InChIKey	OZAGPLXZUNEFQV-UHFFFAOYSA-N Google Search
Mol Weight	519.57 g/mol
Molecular Formula	C31H21NO5S
Exact Mass	519.114044 g/mol

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SpectraBase Spectrum ID	JugQGjUEtRO
Name	3-[N-Phthaloyl-4-aminobenzoyl]-6-methoxy-2-(4-methoxyphenyl)benzo[B]thiophene
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	519.114043949 u
Formula	C31H21NO5S
InChI	InChI=1S/C31H21NO5S/c1-36-21-13-9-19(10-14-21)29-27(25-16-15-22(37-2)17-26(25)38-29)28(33)18-7-11-20(12-8-18)32-30(34)23-5-3-4-6-24(23)31(32)35/h3-17H,1-2H3
InChIKey	OZAGPLXZUNEFQV-UHFFFAOYSA-N
Molecular Weight	519.571 g/mol
SMILES	C1(N(C(C=2C=CC=CC12)=O)C=1C=CC(C(C2=C(SC3=C2C=CC(OC)=C3)C=2C=CC(=CC2)OC)=O)=CC1)=O