ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-fluorophenyl)thio]butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21FN2O3S2 MolecularWeight: 432.531443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O3S2/c1-2-27-20(26)14-24-17-6-3-4-7-18(17)29-21(24)23-19(25)8-5-13-28-16-11-9-15(22)10-12-16/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3