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

Systemtic Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H19FN2O5S2 MolecularWeight: 450.503663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O5S2/c1-23-16-10-5-13(19(25)28-2)12-17(16)29-20(23)22-18(24)4-3-11-30(26,27)15-8-6-14(21)7-9-15/h5-10,12H,3-4,11H2,1-2H3