ethyl 4-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(4-propoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(4-propoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-4-propoxy-anilino]-4-oxo-butanoate CAS Name: 4-[N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-4-propoxyanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-4-propoxyanilino]-4-oxobutanoate Traditional Name: 4-[N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-4-propoxy-anilino]-4-keto-butyric acid ethyl ester Formula: C23H24F2N2O4S MolecularWeight: 462.509466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC2=NC3=C(S2)C=CC(=C3F)F)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC2=NC3=C(S2)C=CC(=C3F)F)C(=O)CCC(=O)OCC

InChI

InChI=1S/C23H24F2N2O4S/c1-3-13-31-16-7-5-15(6-8-16)27(20(28)11-12-21(29)30-4-2)14-19-26-23-18(32-19)10-9-17(24)22(23)25/h5-10H,3-4,11-14H2,1-2H3