methyl 2-[6-fluoranyl-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-fluoranyl-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-benzylsulfonylbutanoylimino)-6-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-fluoro-2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-benzylsulfonylbutanoylimino)-6-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylsulfonylbutanoylimino)-6-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21FN2O5S2 MolecularWeight: 464.530243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21FN2O5S2/c1-29-20(26)13-24-17-10-9-16(22)12-18(17)30-21(24)23-19(25)8-5-11-31(27,28)14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3