tert-butyl carbamate; [2-ethylsulfanyl-4-(ethylsulfanylmethyl)-1,3-thiazol-5-yl] thiocyanate

Systemtic Name: tert-butyl carbamate; [2-ethylsulfanyl-4-(ethylsulfanylmethyl)-1,3-thiazol-5-yl] thiocyanate Openeye Name: tert-butyl carbamate; [2-ethylsulfanyl-4-(ethylsulfanylmethyl)thiazol-5-yl] thiocyanate CAS Name: carbamic acid tert-butyl ester; thiocyanic acid [2-(ethylthio)-4-[(ethylthio)methyl]-5-thiazolyl] ester IUPAC Name: tert-butyl carbamate; [2-ethylsulfanyl-4-(ethylsulfanylmethyl)-1,3-thiazol-5-yl] thiocyanate Traditional Name: carbamic acid tert-butyl ester; thiocyanic acid [2-(ethylthio)-4-[(ethylthio)methyl]thiazol-5-yl] ester Formula: C14H23N3O2S4 MolecularWeight: 393.61132

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(SC(=N1)SCC)SC#N.CC(C)(C)OC(=O)N

Isomeric SMILES

CCSCC1=C(SC(=N1)SCC)SC#N.CC(C)(C)OC(=O)N

InChI

InChI=1S/C9H12N2S4.C5H11NO2/c1-3-12-5-7-8(14-6-10)15-9(11-7)13-4-2;1-5(2,3)8-4(6)7/h3-5H2,1-2H3;1-3H3,(H2,6,7)