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

Systemtic Name: methyl 2-[2-(4-fluorophenyl)sulfonylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-fluorophenyl)sulfonyl-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H13FN2O5S2 MolecularWeight: 408.423923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN2O5S2/c1-25-16(22)10-2-7-13-14(8-10)26-17(19-13)20-15(21)9-27(23,24)12-5-3-11(18)4-6-12/h2-8H,9H2,1H3,(H,19,20,21)