methyl 2-[2-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(2-chloro-3-quinolyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(2-chloro-3-quinolinyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2-chloroquinolin-3-yl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(2-chloro-3-quinolyl)methylthio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C17H14ClN3O3S/c1-24-15(23)8-12-7-14(22)21-17(19-12)25-9-11-6-10-4-2-3-5-13(10)20-16(11)18/h2-7H,8-9H2,1H3,(H,19,21,22)