tert-butyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]imidazole-1-carboxylate CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)ethyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]imidazole-1-carboxylate Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)ethyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H19N3O2S2/c1-17(2,3)22-16(21)20-10-12(18-11-20)8-9-23-15-19-13-6-4-5-7-14(13)24-15/h4-7,10-11H,8-9H2,1-3H3