ethyl 2-[(2Z)-5-tert-butyl-4-methyl-2-(3-nitrophenyl)sulfonylimino-1,3-thiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-5-tert-butyl-4-methyl-2-(3-nitrophenyl)sulfonylimino-1,3-thiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-5-tert-butyl-4-methyl-2-(3-nitrophenyl)sulfonylimino-thiazol-3-yl]acetate CAS Name: 2-[(2Z)-5-tert-butyl-4-methyl-2-(3-nitrophenyl)sulfonylimino-3-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-5-tert-butyl-4-methyl-2-(3-nitrophenyl)sulfonylimino-1,3-thiazol-3-yl]acetate Traditional Name: 2-[(2Z)-5-tert-butyl-4-methyl-2-(3-nitrophenyl)sulfonylimino-4-thiazolin-3-yl]acetic acid ethyl ester Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(SC1=NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(C)(C)C)C

Isomeric SMILES

CCOC(=O)CN\1C(=C(S/C1=N\S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(C)(C)C)C

InChI

InChI=1S/C18H23N3O6S2/c1-6-27-15(22)11-20-12(2)16(18(3,4)5)28-17(20)19-29(25,26)14-9-7-8-13(10-14)21(23)24/h7-10H,6,11H2,1-5H3/b19-17-