CHEBI:107611 - 5-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid
ChEBI ID CHEBI:107611
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H17NO5S2
Net Charge 0
Average Mass 367.443
Monoisotopic Mass 367.05481
InChI InChI=1S/C16H17NO5S2/c1-2-22-16(21)14-10(11-5-4-8-23-11)9-24-15(14)17-12(18)6-3-7-13(19)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKey QKNHDCQPVUCGMO-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CCCC(=O)O
ChEBI Ontology
Outgoing 5-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid (CHEBI:107611) is a ring assembly (CHEBI:36820)
5-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid (CHEBI:107611) is a thiophenes (CHEBI:26961)
Manual Xref Database
LSM-18967 LINCS
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