methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H21FN2O7S2 MolecularWeight: 508.539743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O7S2/c1-31-20(27)13-25-17-10-5-14(21(28)32-2)12-18(17)33-22(25)24-19(26)4-3-11-34(29,30)16-8-6-15(23)7-9-16/h5-10,12H,3-4,11,13H2,1-2H3