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

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CSC3=NC(=CC(=N3)C)C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CSC3=NC(=CC(=N3)C)C)Cl

InChI

InChI=1S/C19H18ClN3O2S/c1-11-4-5-14-8-15(18(20)23-16(14)6-11)9-25-17(24)10-26-19-21-12(2)7-13(3)22-19/h4-8H,9-10H2,1-3H3