CHEBI:117173 - 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid

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ChEBI Name 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid
ChEBI ID CHEBI:117173
Stars This entity has been manually annotated by a third party.
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Formula C22H18N2O2S2
Net Charge 0
Average Mass 406.524
Monoisotopic Mass 406.08097
InChI InChI=1S/C22H18N2O2S2/c23-13-16-19(18-11-6-12-27-18)15-9-4-5-10-17(15)24-21(16)28-20(22(25)26)14-7-2-1-3-8-14/h1-3,6-8,11-12,20H,4-5,9-10H2,(H,25,26)
InChIKey JPYKGCKNTOGHKX-UHFFFAOYSA-N
SMILES C1CCC2=C(C1)C(=C(C(=N2)SC(C3=CC=CC=C3)C(=O)O)C#N)C4=CC=CS4
ChEBI Ontology
Outgoing 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid (CHEBI:117173) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-28622 LINCS
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