CHEBI:107857 - 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

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ChEBI Name 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
ChEBI ID CHEBI:107857
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H18ClNO3S
Net Charge 0
Average Mass 351.849
Monoisotopic Mass 351.06959
InChI InChI=1S/C17H18ClNO3S/c1-4-22-17(21)15-10(2)16(19-11(15)3)14(20)9-23-13-7-5-12(18)6-8-13/h5-8,19H,4,9H2,1-3H3
InChIKey OPXJWUMCOASDQH-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=C(C=C2)Cl)C
ChEBI Ontology
Outgoing 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester (CHEBI:107857) is a aryl sulfide (CHEBI:35683)
Manual Xref Database
LSM-19234 LINCS
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