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

Systemtic Name: ethyl 2-[4-fluoranyl-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(3,4,5-triethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H27FN2O6S MolecularWeight: 490.544383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

InChI

InChI=1S/C24H27FN2O6S/c1-5-30-17-12-15(13-18(31-6-2)22(17)33-8-4)23(29)26-24-27(14-20(28)32-7-3)21-16(25)10-9-11-19(21)34-24/h9-13H,5-8,14H2,1-4H3