phenyl 2-[(6-chloranylpyridin-3-yl)methyl]-4-methylsulfanyl-butanoate

Systemtic Name: phenyl 2-[(6-chloranylpyridin-3-yl)methyl]-4-methylsulfanyl-butanoate Openeye Name: phenyl 2-[(6-chloro-3-pyridyl)methyl]-4-methylsulfanyl-butanoate CAS Name: 2-[(6-chloro-3-pyridinyl)methyl]-4-(methylthio)butanoic acid phenyl ester IUPAC Name: phenyl 2-[(6-chloropyridin-3-yl)methyl]-4-methylsulfanylbutanoate Traditional Name: 2-[(6-chloro-3-pyridyl)methyl]-4-(methylthio)butyric acid phenyl ester Formula: C17H18ClNO2S MolecularWeight: 335.84832

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CC1=CN=C(C=C1)Cl)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CSCCC(CC1=CN=C(C=C1)Cl)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C17H18ClNO2S/c1-22-10-9-14(11-13-7-8-16(18)19-12-13)17(20)21-15-5-3-2-4-6-15/h2-8,12,14H,9-11H2,1H3