methyl 2-(4-fluoranyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(4-fluoranyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(4-fluoro-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[4-fluoro-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(4-fluoro-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(4-fluoro-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C15H17FN2O3S MolecularWeight: 324.370483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(C=CC=C2S1)F)CC(=O)OC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(C=CC=C2S1)F)CC(=O)OC

InChI

InChI=1S/C15H17FN2O3S/c1-3-4-8-12(19)17-15-18(9-13(20)21-2)14-10(16)6-5-7-11(14)22-15/h5-7H,3-4,8-9H2,1-2H3