ethyl 2-[4,6-bis(fluoranyl)-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4,6-bis(fluoranyl)-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4,6-difluoro-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,6-difluoro-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,6-difluoro-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,6-difluoro-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H20F2N2O6S MolecularWeight: 466.455106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)F)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)F)F

InChI

InChI=1S/C21H20F2N2O6S/c1-5-31-17(26)10-25-18-13(23)8-12(22)9-16(18)32-21(25)24-20(27)11-6-14(28-2)19(30-4)15(7-11)29-3/h6-9H,5,10H2,1-4H3