ethyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-fluoro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-6-fluoro-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-fluoro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(dimethylamino)benzoyl]imino-6-fluoro-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H22FN3O3S/c1-4-28-19(26)11-12-25-17-10-7-15(22)13-18(17)29-21(25)23-20(27)14-5-8-16(9-6-14)24(2)3/h5-10,13H,4,11-12H2,1-3H3