ethyl 2-[6-ethoxy-2-[2-(4-fluorophenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-[2-(4-fluorophenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[2-(4-fluorophenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[2-(4-fluorophenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-[2-(4-fluorophenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[2-(4-fluorophenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)F)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)F)S2)CC(=O)OCC

InChI

InChI=1S/C21H21FN2O4S/c1-3-27-16-9-10-17-18(12-16)29-21(24(17)13-20(26)28-4-2)23-19(25)11-14-5-7-15(22)8-6-14/h5-10,12H,3-4,11,13H2,1-2H3