CHEBI:109045 - 2-[2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester
ChEBI ID CHEBI:109045
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H19N3O4S3
Net Charge 0
Average Mass 425.549
Monoisotopic Mass 425.05377
InChI InChI=1S/C17H19N3O4S3/c1-2-24-13(22)6-9-7-25-17(19-9)26-8-12(21)20-16-14(15(18)23)10-4-3-5-11(10)27-16/h7H,2-6,8H2,1H3,(H2,18,23)(H,20,21)
InChIKey KJLSJERLCUZMDK-UHFFFAOYSA-N
SMILES CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N
ChEBI Ontology
Outgoing 2-[2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester (CHEBI:109045) is a aromatic amide (CHEBI:62733)
2-[2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester (CHEBI:109045) is a thiophenes (CHEBI:26961)
Manual Xref Database
LSM-20443 LINCS
View more database links