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CHEBI:49878 - 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:49878
ChEBI Name1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Stars
DownloadsMolfile
FormulaC22H16ClNO2S
Net Charge0
Average Mass393.895
Monoisotopic Mass393.05903
SMILES[H]OC(=O)c1c(Sc2c([H])c([H])c([H])c([H])c2[H])c2c([H])c(Cl)c([H])c([H])c2n1C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C22H16ClNO2S/c23-16-11-12-19-18(13-16)21(27-17-9-5-2-6-10-17)20(22(25)26)24(19)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,25,26)
InChIKeyRFESUVTWCSFPBG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID (CHEBI:49878) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-benzyl-5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxylic acidPDBeChem
1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
SF1PDBeChem