Identification Chemical Properties Hazard Information Supplier

958450-23-2

Name Pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylic acid, 5-bromo-1,2,3,7-tetrahydro-2,7-dimethyl-8-[(phenylthio)methyl]-, ethyl ester
CAS 958450-23-2
Molecular Formula C22H23BrN2O3S
Molecular Weight 475.4
MOL File 958450-23-2.mol
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Chemical Properties

InChI InChI=1S/C22H23BrN2O3S/c1-4-27-22(26)20-18(12-29-14-8-6-5-7-9-14)25(3)17-10-16(23)21-15(19(17)20)11-24(2)13-28-21/h5-10H,4,11-13H2,1-3H3
InChIKey XQLHHSRAXYIVGH-UHFFFAOYSA-N
SMILES O1C2C(Br)=CC3N(C)C(CSC4=CC=CC=C4)=C(C(OCC)=O)C=3C=2CN(C)C1

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