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

Systemtic Name: ethyl 2-[4-fluoranyl-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-(4-isopropoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-(4-isopropoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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