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

Systemtic Name: ethyl 2-[4-fluoranyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21FN2O6S MolecularWeight: 448.464643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O6S/c1-5-30-17(25)11-24-18-13(22)7-6-8-16(18)31-21(24)23-20(26)12-9-14(27-2)19(29-4)15(10-12)28-3/h6-10H,5,11H2,1-4H3