tert-butyl carbamate; tert-butyl [4-(ethylsulfanylmethyl)pyridin-3-yl]sulfanylmethanoate

Systemtic Name: tert-butyl carbamate; tert-butyl [4-(ethylsulfanylmethyl)pyridin-3-yl]sulfanylmethanoate Openeye Name: tert-butyl carbamate; tert-butyl [4-(ethylsulfanylmethyl)-3-pyridyl]sulfanylformate CAS Name: carbamic acid tert-butyl ester; [[4-[(ethylthio)methyl]-3-pyridinyl]thio]formic acid tert-butyl ester IUPAC Name: tert-butyl carbamate; tert-butyl [4-(ethylsulfanylmethyl)pyridin-3-yl]sulfanylformate Traditional Name: carbamic acid tert-butyl ester; [[4-[(ethylthio)methyl]-3-pyridyl]thio]formic acid tert-butyl ester Formula: C18H30N2O4S2 MolecularWeight: 402.5718

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C=NC=C1)SC(=O)OC(C)(C)C.CC(C)(C)OC(=O)N

Isomeric SMILES

CCSCC1=C(C=NC=C1)SC(=O)OC(C)(C)C.CC(C)(C)OC(=O)N

InChI

InChI=1S/C13H19NO2S2.C5H11NO2/c1-5-17-9-10-6-7-14-8-11(10)18-12(15)16-13(2,3)4;1-5(2,3)8-4(6)7/h6-8H,5,9H2,1-4H3;1-3H3,(H2,6,7)