tert-butyl 4-(1-but-2-ynyl-5-ethoxycarbonyl-4-methylsulfanylcarbonyl-imidazol-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-but-2-ynyl-5-ethoxycarbonyl-4-methylsulfanylcarbonyl-imidazol-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-but-2-ynyl-5-ethoxycarbonyl-4-methylsulfanylcarbonyl-imidazol-2-yl)piperazine-1-carboxylate CAS Name: 4-[1-but-2-ynyl-5-ethoxycarbonyl-4-[(methylthio)-oxomethyl]-2-imidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-but-2-ynyl-5-ethoxycarbonyl-4-methylsulfanylcarbonylimidazol-2-yl)piperazine-1-carboxylate Traditional Name: 4-[1-but-2-ynyl-5-carbethoxy-4-(methylthio)carbonyl-imidazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)C(=O)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)C(=O)SC

InChI

InChI=1S/C21H30N4O5S/c1-7-9-10-25-16(17(26)29-8-2)15(18(27)31-6)22-19(25)23-11-13-24(14-12-23)20(28)30-21(3,4)5/h8,10-14H2,1-6H3