tert-butyl N-[2-[(4-chloranylpyridin-3-yl)methylsulfanyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(4-chloranylpyridin-3-yl)methylsulfanyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(4-chloro-3-pyridyl)methylsulfanyl]ethyl]carbamate CAS Name: N-[2-[(4-chloro-3-pyridinyl)methylthio]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(4-chloropyridin-3-yl)methylsulfanyl]ethyl]carbamate Traditional Name: N-[2-[(4-chloro-3-pyridyl)methylthio]ethyl]carbamic acid tert-butyl ester Formula: C13H19ClN2O2S MolecularWeight: 302.82016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSCC1=C(C=CN=C1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCSCC1=C(C=CN=C1)Cl

InChI

InChI=1S/C13H19ClN2O2S/c1-13(2,3)18-12(17)16-6-7-19-9-10-8-15-5-4-11(10)14/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)