tert-butyl 2-chloranyl-2-(2-morpholin-4-yl-5-nitro-1,3-thiazol-4-yl)ethanoate

Systemtic Name: tert-butyl 2-chloranyl-2-(2-morpholin-4-yl-5-nitro-1,3-thiazol-4-yl)ethanoate Openeye Name: tert-butyl 2-chloro-2-(2-morpholino-5-nitro-thiazol-4-yl)acetate CAS Name: 2-chloro-2-[2-(4-morpholinyl)-5-nitro-4-thiazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-2-(2-morpholin-4-yl-5-nitro-1,3-thiazol-4-yl)acetate Traditional Name: 2-chloro-2-(2-morpholino-5-nitro-thiazol-4-yl)acetic acid tert-butyl ester Formula: C13H18ClN3O5S MolecularWeight: 363.81712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(SC(=N1)N2CCOCC2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(SC(=N1)N2CCOCC2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H18ClN3O5S/c1-13(2,3)22-11(18)8(14)9-10(17(19)20)23-12(15-9)16-4-6-21-7-5-16/h8H,4-7H2,1-3H3