CHEBI:107400 - 2-[2-[[benzamido(sulfanylidene)methyl]amino]-4-thiazolyl]acetic acid ethyl ester

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ChEBI Name 2-[2-[[benzamido(sulfanylidene)methyl]amino]-4-thiazolyl]acetic acid ethyl ester
ChEBI ID CHEBI:107400
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H15N3O3S2
Net Charge 0
Average Mass 349.431
Monoisotopic Mass 349.05548
InChI InChI=1S/C15H15N3O3S2/c1-2-21-12(19)8-11-9-23-15(16-11)18-14(22)17-13(20)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,16,17,18,20,22)
InChIKey NZKFCGVVILYGBE-UHFFFAOYSA-N
SMILES CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=CC=C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[2-[[benzamido(sulfanylidene)methyl]amino]-4-thiazolyl]acetic acid ethyl ester (CHEBI:107400) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-18754 LINCS
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