m-[3-(2,5-Dichloro-3-thenoyl)-2-thioureido]benzoic acid, methyl ester

SpectraBase Compound ID	7Erds7CsQjN
InChI	InChI=1S/C14H10Cl2N2O3S2/c1-21-13(20)7-3-2-4-8(5-7)17-14(22)18-12(19)9-6-10(15)23-11(9)16/h2-6H,1H3,(H2,17,18,19,22)
InChIKey	YSFZUVOGEQXKQB-UHFFFAOYSA-N Google Search
Mol Weight	389.27 g/mol
Molecular Formula	C14H10Cl2N2O3S2
Exact Mass	387.95099 g/mol

Subscribe to view the full spectrum.

SpectraBase Spectrum ID	Bmw2jO5pLCI
Name	m-[3-(2,5-Dichloro-3-thenoyl)-2-thioureido]benzoic acid, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	387.950989935 u
Formula	C14H10Cl2N2O3S2
InChI	InChI=1S/C14H10Cl2N2O3S2/c1-21-13(20)7-3-2-4-8(5-7)17-14(22)18-12(19)9-6-10(15)23-11(9)16/h2-6H,1H3,(H2,17,18,19,22)
InChIKey	YSFZUVOGEQXKQB-UHFFFAOYSA-N
Molecular Weight	389.271 g/mol
SMILES	N(C1=CC(=CC=C1)C(OC)=O)C(NC(=O)C1=C(SC(=C1)Cl)Cl)=S