ethyl 2-(4-chloranyl-6-quinolin-6-yloxy-pyrimidin-2-yl)sulfanyloctanoate

Systemtic Name: ethyl 2-(4-chloranyl-6-quinolin-6-yloxy-pyrimidin-2-yl)sulfanyloctanoate Openeye Name: ethyl 2-[4-chloro-6-(6-quinolyloxy)pyrimidin-2-yl]sulfanyloctanoate CAS Name: 2-[[4-chloro-6-(6-quinolinyloxy)-2-pyrimidinyl]thio]octanoic acid ethyl ester IUPAC Name: ethyl 2-(4-chloro-6-quinolin-6-yloxypyrimidin-2-yl)sulfanyloctanoate Traditional Name: 2-[[4-chloro-6-(6-quinolyloxy)pyrimidin-2-yl]thio]caprylic acid ethyl ester Formula: C23H26ClN3O3S MolecularWeight: 459.98884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)SC1=NC(=CC(=N1)Cl)OC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)OCC)SC1=NC(=CC(=N1)Cl)OC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C23H26ClN3O3S/c1-3-5-6-7-10-19(22(28)29-4-2)31-23-26-20(24)15-21(27-23)30-17-11-12-18-16(14-17)9-8-13-25-18/h8-9,11-15,19H,3-7,10H2,1-2H3