CHEBI:109689 - 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester

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ChEBI Name 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
ChEBI ID CHEBI:109689
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H16ClNO3S
Net Charge 0
Average Mass 337.823
Monoisotopic Mass 337.05394
InChI InChI=1S/C16H16ClNO3S/c1-9-14(16(20)21-3)10(2)18-15(9)13(19)8-22-12-6-4-11(17)5-7-12/h4-7,18H,8H2,1-3H3
InChIKey UFYMVJLILOQOCV-UHFFFAOYSA-N
SMILES CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC=C(C=C2)Cl
ChEBI Ontology
Outgoing 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester (CHEBI:109689) is a aryl sulfide (CHEBI:35683)
Manual Xref Database
LSM-21117 LINCS
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