Terminology Service for NFDI4Health
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
Go to external page
http://purl.obolibrary.org/obo/CHEBI_121777
Term info
Label
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
Subsets
2_STAR
charge
0
formula
C20H21NO6S
has obo namespace
chebi_ontology
id
CHEBI:121777
inchi
InChI=1S/C20H21NO6S/c1-26-20(25)17-13-8-3-2-4-10-15(13)28-18(17)21-16(23)11-27-19(24)12-7-5-6-9-14(12)22/h5-7,9,22H,2-4,8,10-11H2,1H3,(H,21,23)
inchikey
IUCLIZICDPQNIF-UHFFFAOYSA-N
mass
403.451
monoisotopicmass
403.10896
smiles
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=CC=CC=C3O