acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester (CHEBI:107475)

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ChEBI Name	acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester

ChEBI ID	CHEBI:107475

Stars	This entity has been manually annotated by a third party.

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Formula

C17H16N2O6S2

Net Charge

Average Mass

408.452

Monoisotopic Mass

408.04498

InChI

InChI=1S/C17H16N2O6S2/c1-4-6-26-17-18-12(16(21)27-17)7-11-8-13(19(22)23)15(25-10(3)20)14(9-11)24-5-2/h4,7-9H,1,5-6H2,2-3H3

InChIKey

VGKDCUBFONAPQD-UHFFFAOYSA-N

SMILES

CCOC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])C=C2C(=O)SC(=N2)SCC=C

ChEBI Ontology
Outgoing	acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester (CHEBI:107475) is a C-nitro compound (CHEBI:35716) acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester (CHEBI:107475) is a aromatic ether (CHEBI:35618)