O-[5-chloranyl-3-(4-methylsulfonylphenyl)pyridin-2-yl] 2-ethyl-2-oxidanyl-butanethioate

Systemtic Name: O-[5-chloranyl-3-(4-methylsulfonylphenyl)pyridin-2-yl] 2-ethyl-2-oxidanyl-butanethioate Openeye Name: O-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridyl] 2-ethyl-2-hydroxy-butanethioate CAS Name: 2-ethyl-2-hydroxybutanethioic acid O-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl] ester IUPAC Name: O-[5-chloro-3-(4-methylsulfonylphenyl)pyridin-2-yl] 2-ethyl-2-hydroxybutanethioate Traditional Name: 2-ethyl-2-hydroxy-butanethioic acid O-[5-chloro-3-(4-mesylphenyl)-2-pyridyl] ester Formula: C18H20ClNO4S2 MolecularWeight: 413.9387

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=S)OC1=NC=C(C=C1C2=CC=C(C=C2)S(=O)(=O)C)Cl)O

Isomeric SMILES

CCC(CC)(C(=S)OC1=NC=C(C=C1C2=CC=C(C=C2)S(=O)(=O)C)Cl)O

InChI

InChI=1S/C18H20ClNO4S2/c1-4-18(21,5-2)17(25)24-16-15(10-13(19)11-20-16)12-6-8-14(9-7-12)26(3,22)23/h6-11,21H,4-5H2,1-3H3