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

Systemtic Name: methyl 3-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H21FN2O5S2 MolecularWeight: 464.530243

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O5S2/c1-3-24-17-11-6-14(20(26)29-2)13-18(17)30-21(24)23-19(25)5-4-12-31(27,28)16-9-7-15(22)8-10-16/h6-11,13H,3-5,12H2,1-2H3