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

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-tert-butylbenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-tert-butylphenyl)-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-tert-butylbenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-tert-butylbenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23FN2O3S MolecularWeight: 414.493023

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)C(C)(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O3S/c1-5-28-18(26)13-25-19-16(23)7-6-8-17(19)29-21(25)24-20(27)14-9-11-15(12-10-14)22(2,3)4/h6-12H,5,13H2,1-4H3