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

Systemtic Name: phenyl 2-[(6-chloranylpyridin-3-yl)methyl]-4-(oxan-2-ylsulfanyl)butanoate Openeye Name: phenyl 2-[(6-chloro-3-pyridyl)methyl]-4-tetrahydropyran-2-ylsulfanyl-butanoate CAS Name: 2-[(6-chloro-3-pyridinyl)methyl]-4-(2-oxanylthio)butanoic acid phenyl ester IUPAC Name: phenyl 2-[(6-chloropyridin-3-yl)methyl]-4-(oxan-2-ylsulfanyl)butanoate Traditional Name: 2-[(6-chloro-3-pyridyl)methyl]-4-(tetrahydropyran-2-ylthio)butyric acid phenyl ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)SCCC(CC2=CN=C(C=C2)Cl)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCOC(C1)SCCC(CC2=CN=C(C=C2)Cl)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H24ClNO3S/c22-19-10-9-16(15-23-19)14-17(11-13-27-20-8-4-5-12-25-20)21(24)26-18-6-2-1-3-7-18/h1-3,6-7,9-10,15,17,20H,4-5,8,11-14H2