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

Systemtic Name: ethyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(diethylamino)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(diethylamino)phenyl]-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(diethylamino)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(diethylamino)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

InChI

InChI=1S/C22H24FN3O3S/c1-4-25(5-2)16-12-10-15(11-13-16)21(28)24-22-26(14-19(27)29-6-3)20-17(23)8-7-9-18(20)30-22/h7-13H,4-6,14H2,1-3H3