tert-butyl carbamate; 2-chloranyl-4-(ethylsulfanylmethyl)-5-[2-(phenylsulfonyl)ethylsulfanyl]-1,3-thiazole

Systemtic Name: tert-butyl carbamate; 2-chloranyl-4-(ethylsulfanylmethyl)-5-[2-(phenylsulfonyl)ethylsulfanyl]-1,3-thiazole Openeye Name: 5-[2-(benzenesulfonyl)ethylsulfanyl]-2-chloro-4-(ethylsulfanylmethyl)thiazole; tert-butyl carbamate CAS Name: 5-[2-(benzenesulfonyl)ethylthio]-2-chloro-4-[(ethylthio)methyl]thiazole; carbamic acid tert-butyl ester IUPAC Name: 5-[2-(benzenesulfonyl)ethylsulfanyl]-2-chloro-4-(ethylsulfanylmethyl)-1,3-thiazole; tert-butyl carbamate Traditional Name: 5-(2-besylethylthio)-2-chloro-4-[(ethylthio)methyl]thiazole; carbamic acid tert-butyl ester Formula: C19H27ClN2O4S4 MolecularWeight: 511.14168

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(SC(=N1)Cl)SCCS(=O)(=O)C2=CC=CC=C2.CC(C)(C)OC(=O)N

Isomeric SMILES

CCSCC1=C(SC(=N1)Cl)SCCS(=O)(=O)C2=CC=CC=C2.CC(C)(C)OC(=O)N

InChI

InChI=1S/C14H16ClNO2S4.C5H11NO2/c1-2-19-10-12-13(21-14(15)16-12)20-8-9-22(17,18)11-6-4-3-5-7-11;1-5(2,3)8-4(6)7/h3-7H,2,8-10H2,1H3;1-3H3,(H2,6,7)