tert-butyl carbamate; 4-chloranyl-3-(ethylsulfanylmethyl)pyridine

Systemtic Name: tert-butyl carbamate; 4-chloranyl-3-(ethylsulfanylmethyl)pyridine Openeye Name: tert-butyl carbamate; 4-chloro-3-(ethylsulfanylmethyl)pyridine CAS Name: carbamic acid tert-butyl ester; 4-chloro-3-[(ethylthio)methyl]pyridine IUPAC Name: tert-butyl carbamate; 4-chloro-3-(ethylsulfanylmethyl)pyridine Traditional Name: carbamic acid tert-butyl ester; 4-chloro-3-[(ethylthio)methyl]pyridine Formula: C13H21ClN2O2S MolecularWeight: 304.83604

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C=CN=C1)Cl.CC(C)(C)OC(=O)N

Isomeric SMILES

CCSCC1=C(C=CN=C1)Cl.CC(C)(C)OC(=O)N

InChI

InChI=1S/C8H10ClNS.C5H11NO2/c1-2-11-6-7-5-10-4-3-8(7)9;1-5(2,3)8-4(6)7/h3-5H,2,6H2,1H3;1-3H3,(H2,6,7)