(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl)C

InChI

InChI=1S/C19H18ClN3O3S/c1-11-6-12(2)22-19(21-11)27-10-17(24)26-9-14-7-13-4-5-15(25-3)8-16(13)23-18(14)20/h4-8H,9-10H2,1-3H3