3-[3-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]-2-methylbenzoic acid

SpectraBase Compound ID	8IaZC4BolmG
InChI	InChI=1S/C27H25N3O5S/c1-15-8-10-20(11-9-15)28-24(31)14-29-25(32)23(36-27(29)35)13-19-12-16(2)30(18(19)4)22-7-5-6-21(17(22)3)26(33)34/h5-13H,14H2,1-4H3,(H,28,31)(H,33,34)/b23-13+
InChIKey	SLLPKMPXVLXINN-YDZHTSKRSA-N Google Search
Mol Weight	503.57 g/mol
Molecular Formula	C27H25N3O5S
Exact Mass	503.151492 g/mol

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SpectraBase Spectrum ID	8nYsfmFfr7o
Name	3-[3-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]-2-methylbenzoic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C27H25N3O5S/c1-15-8-10-20(11-9-15)28-24(31)14-29-25(32)23(36-27(29)35)13-19-12-16(2)30(18(19)4)22-7-5-6-21(17(22)3)26(33)34/h5-13H,14H2,1-4H3,(H,28,31)(H,33,34)/b23-13+
InChIKey	SLLPKMPXVLXINN-YDZHTSKRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11813
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 1003286; UBI_ID: UBI-011816
Synonyms	3-[3-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]-2-methylbenzoic acid
Temperature	318 °C