tert-butyl 2-azanylidene-3-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-5-methyl-1,3-thiazol-3-ium-3-carboxylate

Systemtic Name: tert-butyl 2-azanylidene-3-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-5-methyl-1,3-thiazol-3-ium-3-carboxylate Openeye Name: tert-butyl 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-imino-5-methyl-thiazol-3-ium-3-carboxylate CAS Name: 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-imino-5-methyl-3-thiazol-3-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-imino-5-methyl-1,3-thiazol-3-ium-3-carboxylate Traditional Name: 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-imino-5-methyl-4-thiazolin-3-ium-3-carboxylic acid tert-butyl ester Formula: C16H17F2N2O4S+ MolecularWeight: 371.378986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](C(=N)S1)(C2=C3C(=CC=C2)OC(O3)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C[N+](C(=N)S1)(C2=C3C(=CC=C2)OC(O3)(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H17F2N2O4S/c1-9-8-20(13(19)25-9,14(21)24-15(2,3)4)10-6-5-7-11-12(10)23-16(17,18)22-11/h5-8,19H,1-4H3/q+1