tert-butyl 4-[2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(furan-2-carbonylamino)-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)-1-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(furan-2-carbonylamino)-4-methylsulfanylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-furoylamino)-4-(methylthio)butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C19H29N3O5S/c1-19(2,3)27-18(25)22-10-8-21(9-11-22)17(24)14(7-13-28-4)20-16(23)15-6-5-12-26-15/h5-6,12,14H,7-11,13H2,1-4H3,(H,20,23)