EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114546 - 2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester

ChEBI IDCHEBI:114546
ChEBI Name2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester
Stars
DownloadsMolfile
FormulaC20H21N3O7S
Net Charge0
Average Mass447.469
Monoisotopic Mass447.11002
SMILESCCOC(=O)c1ccc(C(=O)OCC)c(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1
InChIInChI=1S/C20H21N3O7S/c1-4-29-18(24)12-6-8-14(19(25)30-5-2)16(10-12)22-20(31)21-15-9-7-13(23(26)27)11-17(15)28-3/h6-11H,4-5H2,1-3H3,(H2,21,22,31)
InChIKeyBHYAPMHXMSCJNS-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester (CHEBI:114546) is a phthalate ester (CHEBI:35484)
Manual XrefsDatabases
LSM-26007LINCS