ethyl 2-[4-chloranyl-6-(quinolin-6-ylmethoxy)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-chloranyl-6-(quinolin-6-ylmethoxy)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-chloro-6-(6-quinolylmethoxy)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-(6-quinolinylmethoxy)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-6-(quinolin-6-ylmethoxy)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-(6-quinolylmethoxy)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC(=N1)Cl)OCC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=CC(=N1)Cl)OCC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C18H16ClN3O3S/c1-2-24-17(23)11-26-18-21-15(19)9-16(22-18)25-10-12-5-6-14-13(8-12)4-3-7-20-14/h3-9H,2,10-11H2,1H3