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

Systemtic Name: ethyl 2-[6-ethoxy-2-(4-fluorophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(4-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(4-fluorophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(4-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(4-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O4S/c1-3-26-15-9-10-16-17(11-15)28-20(23(16)12-18(24)27-4-2)22-19(25)13-5-7-14(21)8-6-13/h5-11H,3-4,12H2,1-2H3