ethyl 2,2-bis(fluoranyl)-3-imidazol-1-ylcarbothioyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: ethyl 2,2-bis(fluoranyl)-3-imidazol-1-ylcarbothioyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: ethyl 4-(tert-butoxycarbonylamino)-2,2-difluoro-3-(imidazole-1-carbothioyloxy)butanoate CAS Name: 2,2-difluoro-3-[1-imidazolyl(sulfanylidene)methoxy]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 2,2-difluoro-3-(imidazole-1-carbothioyloxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)-2,2-difluoro-3-(imidazole-1-carbothioyloxy)butyric acid ethyl ester Formula: C15H21F2N3O5S MolecularWeight: 393.406146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CNC(=O)OC(C)(C)C)OC(=S)N1C=CN=C1)(F)F

Isomeric SMILES

CCOC(=O)C(C(CNC(=O)OC(C)(C)C)OC(=S)N1C=CN=C1)(F)F

InChI

InChI=1S/C15H21F2N3O5S/c1-5-23-11(21)15(16,17)10(8-19-12(22)25-14(2,3)4)24-13(26)20-7-6-18-9-20/h6-7,9-10H,5,8H2,1-4H3,(H,19,22)