CHEBI:94224 - 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl ester
ChEBI ID CHEBI:94224
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H19NO4S
Net Charge 0
Average Mass 333.404
Monoisotopic Mass 333.10348
InChI InChI=1S/C17H19NO4S/c1-4-11-5-12-6-14-15(21-9-20-14)7-13(12)18-17(11)23-8-16(19)22-10(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKey GOYFBQRTUYKEQN-UHFFFAOYSA-N
SMILES CCC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)OC(C)C
ChEBI Ontology
Outgoing 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl ester (CHEBI:94224) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-4847 LINCS
View more database links